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/GII4-8179421a/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/GII4-8179421a/inputs/seq.fa: 1 curr_seq: _CAUGUUAGAAAGCACACCGUCACUUGAAGAUUUUGCGAUGUCGUUGUUGCUGUUGGCAACAGCGGCAGCGGAAGCGUCGUUAGAGGCCAUCUUCAUUCAC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CAUGUUAGAAAGCACACCGUCACUUGAAGAUUUUGCGAUGUCGUUGUUGCUGUUGGCAACAGCGGCAGCGGAAGCGUCGUUAGAGGCCAUCUUCAUUCAC RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 100 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 505 n_atoms_counter: 505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 100.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 0.900 successfully initiated initiating replica nr: 2 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/GII4-8179421a/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/GII4-8179421a/inputs/seq.fa: 1 curr_seq: _CAUGUUAGAAAGCACACCGUCACUUGAAGAUUUUGCGAUGUCGUUGUUGCUGUUGGCAACAGCGGCAGCGGAAGCGUCGUUAGAGGCCAUCUUCAUUCAC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CAUGUUAGAAAGCACACCGUCACUUGAAGAUUUUGCGAUGUCGUUGUUGCUGUUGGCAACAGCGGCAGCGGAAGCGUCGUUAGAGGCCAUCUUCAUUCAC RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 100 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 505 n_atoms_counter: 505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 100.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 0.950 successfully initiated initiating replica nr: 3 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/GII4-8179421a/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/GII4-8179421a/inputs/seq.fa: 1 curr_seq: _CAUGUUAGAAAGCACACCGUCACUUGAAGAUUUUGCGAUGUCGUUGUUGCUGUUGGCAACAGCGGCAGCGGAAGCGUCGUUAGAGGCCAUCUUCAUUCAC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CAUGUUAGAAAGCACACCGUCACUUGAAGAUUUUGCGAUGUCGUUGUUGCUGUUGGCAACAGCGGCAGCGGAAGCGUCGUUAGAGGCCAUCUUCAUUCAC RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 100 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 505 n_atoms_counter: 505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 100.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.000 successfully initiated initiating replica nr: 4 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/GII4-8179421a/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/GII4-8179421a/inputs/seq.fa: 1 curr_seq: _CAUGUUAGAAAGCACACCGUCACUUGAAGAUUUUGCGAUGUCGUUGUUGCUGUUGGCAACAGCGGCAGCGGAAGCGUCGUUAGAGGCCAUCUUCAUUCAC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CAUGUUAGAAAGCACACCGUCACUUGAAGAUUUUGCGAUGUCGUUGUUGCUGUUGGCAACAGCGGCAGCGGAAGCGUCGUUAGAGGCCAUCUUCAUUCAC RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 100 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 505 n_atoms_counter: 505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 100.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.050 successfully initiated initiating replica nr: 5 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/GII4-8179421a/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/GII4-8179421a/inputs/seq.fa: 1 curr_seq: _CAUGUUAGAAAGCACACCGUCACUUGAAGAUUUUGCGAUGUCGUUGUUGCUGUUGGCAACAGCGGCAGCGGAAGCGUCGUUAGAGGCCAUCUUCAUUCAC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CAUGUUAGAAAGCACACCGUCACUUGAAGAUUUUGCGAUGUCGUUGUUGCUGUUGGCAACAGCGGCAGCGGAAGCGUCGUUAGAGGCCAUCUUCAUUCAC RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 100 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 505 n_atoms_counter: 505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 100.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.100 successfully initiated initiating replica nr: 6 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/GII4-8179421a/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/GII4-8179421a/inputs/seq.fa: 1 curr_seq: _CAUGUUAGAAAGCACACCGUCACUUGAAGAUUUUGCGAUGUCGUUGUUGCUGUUGGCAACAGCGGCAGCGGAAGCGUCGUUAGAGGCCAUCUUCAUUCAC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CAUGUUAGAAAGCACACCGUCACUUGAAGAUUUUGCGAUGUCGUUGUUGCUGUUGGCAACAGCGGCAGCGGAAGCGUCGUUAGAGGCCAUCUUCAUUCAC RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 100 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 505 n_atoms_counter: 505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 100.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.150 successfully initiated initiating replica nr: 7 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/GII4-8179421a/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/GII4-8179421a/inputs/seq.fa: 1 curr_seq: _CAUGUUAGAAAGCACACCGUCACUUGAAGAUUUUGCGAUGUCGUUGUUGCUGUUGGCAACAGCGGCAGCGGAAGCGUCGUUAGAGGCCAUCUUCAUUCAC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CAUGUUAGAAAGCACACCGUCACUUGAAGAUUUUGCGAUGUCGUUGUUGCUGUUGGCAACAGCGGCAGCGGAAGCGUCGUUAGAGGCCAUCUUCAUUCAC RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 100 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 505 n_atoms_counter: 505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 100.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.200 successfully initiated initiating replica nr: 8 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/GII4-8179421a/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/GII4-8179421a/inputs/seq.fa: 1 curr_seq: _CAUGUUAGAAAGCACACCGUCACUUGAAGAUUUUGCGAUGUCGUUGUUGCUGUUGGCAACAGCGGCAGCGGAAGCGUCGUUAGAGGCCAUCUUCAUUCAC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CAUGUUAGAAAGCACACCGUCACUUGAAGAUUUUGCGAUGUCGUUGUUGCUGUUGGCAACAGCGGCAGCGGAAGCGUCGUUAGAGGCCAUCUUCAUUCAC RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 100 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 505 n_atoms_counter: 505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 100.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.250 successfully initiated initiating replica nr: 9 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/GII4-8179421a/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/GII4-8179421a/inputs/seq.fa: 1 curr_seq: _CAUGUUAGAAAGCACACCGUCACUUGAAGAUUUUGCGAUGUCGUUGUUGCUGUUGGCAACAGCGGCAGCGGAAGCGUCGUUAGAGGCCAUCUUCAUUCAC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CAUGUUAGAAAGCACACCGUCACUUGAAGAUUUUGCGAUGUCGUUGUUGCUGUUGGCAACAGCGGCAGCGGAAGCGUCGUUAGAGGCCAUCUUCAUUCAC RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 100 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 505 n_atoms_counter: 505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 100.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.300 successfully initiated initiating replica nr: 10 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/GII4-8179421a/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/GII4-8179421a/inputs/seq.fa: 1 curr_seq: _CAUGUUAGAAAGCACACCGUCACUUGAAGAUUUUGCGAUGUCGUUGUUGCUGUUGGCAACAGCGGCAGCGGAAGCGUCGUUAGAGGCCAUCUUCAUUCAC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CAUGUUAGAAAGCACACCGUCACUUGAAGAUUUUGCGAUGUCGUUGUUGCUGUUGGCAACAGCGGCAGCGGAAGCGUCGUUAGAGGCCAUCUUCAUUCAC RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 100 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 505 n_atoms_counter: 505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 100.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.350 successfully initiated .calculating program compiled for parallel execution of replicas in Replica Exchange MC method program can utilize maximum as many CPU cores as replicas, in this case: 10 ================================== temp. level: 1, replica: 1 ===================================== Write number: 1 Temperature: 0.900000 Total energy: -408.999723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.999723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.999723 (E_RNA) where: Base-Base interactions energy: -19.553 where: short stacking energy: -19.553 Base-Backbone interact. energy: -0.000 local terms energy: -389.446403 where: bonds (distance) C4'-P energy: -97.158 bonds (distance) P-C4' energy: -90.360 flat angles C4'-P-C4' energy: -73.422 flat angles P-C4'-P energy: -83.987 tors. eta vs tors. theta energy: -44.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -408.999723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.999723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.999723 (E_RNA) where: Base-Base interactions energy: -19.553 where: short stacking energy: -19.553 Base-Backbone interact. energy: -0.000 local terms energy: -389.446403 where: bonds (distance) C4'-P energy: -97.158 bonds (distance) P-C4' energy: -90.360 flat angles C4'-P-C4' energy: -73.422 flat angles P-C4'-P energy: -83.987 tors. eta vs tors. theta energy: -44.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -408.999723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.999723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.999723 (E_RNA) where: Base-Base interactions energy: -19.553 where: short stacking energy: -19.553 Base-Backbone interact. energy: -0.000 local terms energy: -389.446403 where: bonds (distance) C4'-P energy: -97.158 bonds (distance) P-C4' energy: -90.360 flat angles C4'-P-C4' energy: -73.422 flat angles P-C4'-P energy: -83.987 tors. eta vs tors. theta energy: -44.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -408.999723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.999723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.999723 (E_RNA) where: Base-Base interactions energy: -19.553 where: short stacking energy: -19.553 Base-Backbone interact. energy: -0.000 local terms energy: -389.446403 where: bonds (distance) C4'-P energy: -97.158 bonds (distance) P-C4' energy: -90.360 flat angles C4'-P-C4' energy: -73.422 flat angles P-C4'-P energy: -83.987 tors. eta vs tors. theta energy: -44.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -408.999723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.999723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.999723 (E_RNA) where: Base-Base interactions energy: -19.553 where: short stacking energy: -19.553 Base-Backbone interact. energy: -0.000 local terms energy: -389.446403 where: bonds (distance) C4'-P energy: -97.158 bonds (distance) P-C4' energy: -90.360 flat angles C4'-P-C4' energy: -73.422 flat angles P-C4'-P energy: -83.987 tors. eta vs tors. theta energy: -44.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -408.999723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.999723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.999723 (E_RNA) where: Base-Base interactions energy: -19.553 where: short stacking energy: -19.553 Base-Backbone interact. energy: -0.000 local terms energy: -389.446403 where: bonds (distance) C4'-P energy: -97.158 bonds (distance) P-C4' energy: -90.360 flat angles C4'-P-C4' energy: -73.422 flat angles P-C4'-P energy: -83.987 tors. eta vs tors. theta energy: -44.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -408.999723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.999723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.999723 (E_RNA) where: Base-Base interactions energy: -19.553 where: short stacking energy: -19.553 Base-Backbone interact. energy: -0.000 local terms energy: -389.446403 where: bonds (distance) C4'-P energy: -97.158 bonds (distance) P-C4' energy: -90.360 flat angles C4'-P-C4' energy: -73.422 flat angles P-C4'-P energy: -83.987 tors. eta vs tors. theta energy: -44.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -408.999723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.999723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.999723 (E_RNA) where: Base-Base interactions energy: -19.553 where: short stacking energy: -19.553 Base-Backbone interact. energy: -0.000 local terms energy: -389.446403 where: bonds (distance) C4'-P energy: -97.158 bonds (distance) P-C4' energy: -90.360 flat angles C4'-P-C4' energy: -73.422 flat angles P-C4'-P energy: -83.987 tors. eta vs tors. theta energy: -44.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -408.999723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.999723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.999723 (E_RNA) where: Base-Base interactions energy: -19.553 where: short stacking energy: -19.553 Base-Backbone interact. energy: -0.000 local terms energy: -389.446403 where: bonds (distance) C4'-P energy: -97.158 bonds (distance) P-C4' energy: -90.360 flat angles C4'-P-C4' energy: -73.422 flat angles P-C4'-P energy: -83.987 tors. eta vs tors. theta energy: -44.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -408.999723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.999723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.999723 (E_RNA) where: Base-Base interactions energy: -19.553 where: short stacking energy: -19.553 Base-Backbone interact. energy: -0.000 local terms energy: -389.446403 where: bonds (distance) C4'-P energy: -97.158 bonds (distance) P-C4' energy: -90.360 flat angles C4'-P-C4' energy: -73.422 flat angles P-C4'-P energy: -83.987 tors. eta vs tors. theta energy: -44.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -517.857648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.857648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.857648 (E_RNA) where: Base-Base interactions energy: -223.829 where: short stacking energy: -216.618 Base-Backbone interact. energy: -0.578 local terms energy: -293.450950 where: bonds (distance) C4'-P energy: -60.046 bonds (distance) P-C4' energy: -70.340 flat angles C4'-P-C4' energy: -62.159 flat angles P-C4'-P energy: -43.860 tors. eta vs tors. theta energy: -57.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -498.385158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.385158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.385158 (E_RNA) where: Base-Base interactions energy: -228.504 where: short stacking energy: -228.904 Base-Backbone interact. energy: 0.527 local terms energy: -270.408447 where: bonds (distance) C4'-P energy: -63.078 bonds (distance) P-C4' energy: -54.871 flat angles C4'-P-C4' energy: -57.425 flat angles P-C4'-P energy: -42.056 tors. eta vs tors. theta energy: -52.978 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: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -485.179458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.179458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.179458 (E_RNA) where: Base-Base interactions energy: -213.612 where: short stacking energy: -207.485 Base-Backbone interact. energy: 0.797 local terms energy: -272.364876 where: bonds (distance) C4'-P energy: -61.774 bonds (distance) P-C4' energy: -55.643 flat angles C4'-P-C4' energy: -54.370 flat angles P-C4'-P energy: -51.357 tors. eta vs tors. theta energy: -49.220 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: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -421.306921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.306921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.306921 (E_RNA) where: Base-Base interactions energy: -168.368 where: short stacking energy: -168.116 Base-Backbone interact. energy: -0.067 local terms energy: -252.872191 where: bonds (distance) C4'-P energy: -56.228 bonds (distance) P-C4' energy: -66.406 flat angles C4'-P-C4' energy: -57.316 flat angles P-C4'-P energy: -44.882 tors. eta vs tors. theta energy: -28.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -410.248380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.248380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.248380 (E_RNA) where: Base-Base interactions energy: -21.142 where: short stacking energy: -21.142 Base-Backbone interact. energy: -0.000 local terms energy: -389.106246 where: bonds (distance) C4'-P energy: -97.042 bonds (distance) P-C4' energy: -90.353 flat angles C4'-P-C4' energy: -73.126 flat angles P-C4'-P energy: -83.913 tors. eta vs tors. theta energy: -44.673 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: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -409.214319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.214319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.214319 (E_RNA) where: Base-Base interactions energy: -22.747 where: short stacking energy: -22.747 Base-Backbone interact. energy: -0.000 local terms energy: -386.467501 where: bonds (distance) C4'-P energy: -95.837 bonds (distance) P-C4' energy: -90.092 flat angles C4'-P-C4' energy: -72.110 flat angles P-C4'-P energy: -83.791 tors. eta vs tors. theta energy: -44.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -409.213454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.213454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.213454 (E_RNA) where: Base-Base interactions energy: -22.746 where: short stacking energy: -22.746 Base-Backbone interact. energy: -0.000 local terms energy: -386.467501 where: bonds (distance) C4'-P energy: -95.837 bonds (distance) P-C4' energy: -90.092 flat angles C4'-P-C4' energy: -72.110 flat angles P-C4'-P energy: -83.791 tors. eta vs tors. theta energy: -44.637 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: 2 Temperature: 1.250000 Total energy: -411.248139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.248139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.248139 (E_RNA) where: Base-Base interactions energy: -64.321 where: short stacking energy: -64.321 Base-Backbone interact. energy: -0.000 local terms energy: -346.926894 where: bonds (distance) C4'-P energy: -77.112 bonds (distance) P-C4' energy: -73.583 flat angles C4'-P-C4' energy: -73.470 flat angles P-C4'-P energy: -75.716 tors. eta vs tors. theta energy: -47.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -409.125661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.125661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.125661 (E_RNA) where: Base-Base interactions energy: -22.621 where: short stacking energy: -22.621 Base-Backbone interact. energy: -0.000 local terms energy: -386.504743 where: bonds (distance) C4'-P energy: -95.837 bonds (distance) P-C4' energy: -90.092 flat angles C4'-P-C4' energy: -72.110 flat angles P-C4'-P energy: -83.828 tors. eta vs tors. theta energy: -44.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -409.870055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.870055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.870055 (E_RNA) where: Base-Base interactions energy: -21.015 where: short stacking energy: -21.015 Base-Backbone interact. energy: -0.000 local terms energy: -388.855335 where: bonds (distance) C4'-P energy: -97.042 bonds (distance) P-C4' energy: -90.353 flat angles C4'-P-C4' energy: -72.838 flat angles P-C4'-P energy: -83.950 tors. eta vs tors. theta energy: -44.673 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: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -541.328844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.328844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.328844 (E_RNA) where: Base-Base interactions energy: -231.211 where: short stacking energy: -201.981 Base-Backbone interact. energy: -0.638 local terms energy: -309.480413 where: bonds (distance) C4'-P energy: -65.939 bonds (distance) P-C4' energy: -75.296 flat angles C4'-P-C4' energy: -66.310 flat angles P-C4'-P energy: -46.070 tors. eta vs tors. theta energy: -55.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -526.487565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.487565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.487565 (E_RNA) where: Base-Base interactions energy: -243.613 where: short stacking energy: -198.622 Base-Backbone interact. energy: 0.265 local terms energy: -283.139761 where: bonds (distance) C4'-P energy: -60.914 bonds (distance) P-C4' energy: -60.791 flat angles C4'-P-C4' energy: -62.570 flat angles P-C4'-P energy: -49.550 tors. eta vs tors. theta energy: -49.315 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: 3 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -472.122594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.122594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.122594 (E_RNA) where: Base-Base interactions energy: -219.539 where: short stacking energy: -184.888 Base-Backbone interact. energy: 0.256 local terms energy: -252.839111 where: bonds (distance) C4'-P energy: -51.278 bonds (distance) P-C4' energy: -63.696 flat angles C4'-P-C4' energy: -61.722 flat angles P-C4'-P energy: -38.700 tors. eta vs tors. theta energy: -37.442 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: 4 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -537.403584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.403584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.403584 (E_RNA) where: Base-Base interactions energy: -289.976 where: short stacking energy: -196.041 Base-Backbone interact. energy: -1.070 local terms energy: -246.357115 where: bonds (distance) C4'-P energy: -54.652 bonds (distance) P-C4' energy: -55.873 flat angles C4'-P-C4' energy: -60.035 flat angles P-C4'-P energy: -35.511 tors. eta vs tors. theta energy: -40.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -463.686877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.686877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.686877 (E_RNA) where: Base-Base interactions energy: -223.998 where: short stacking energy: -160.340 Base-Backbone interact. energy: -1.350 local terms energy: -238.339381 where: bonds (distance) C4'-P energy: -57.850 bonds (distance) P-C4' energy: -50.105 flat angles C4'-P-C4' energy: -64.671 flat angles P-C4'-P energy: -35.849 tors. eta vs tors. theta energy: -29.865 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: 6, replica: 7 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -365.193551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.193551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.193551 (E_RNA) where: Base-Base interactions energy: -138.753 where: short stacking energy: -130.379 Base-Backbone interact. energy: 1.422 local terms energy: -227.862465 where: bonds (distance) C4'-P energy: -66.536 bonds (distance) P-C4' energy: -63.999 flat angles C4'-P-C4' energy: -52.888 flat angles P-C4'-P energy: -33.829 tors. eta vs tors. theta energy: -10.609 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: 6 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -396.356909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.356909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.356909 (E_RNA) where: Base-Base interactions energy: -192.895 where: short stacking energy: -133.430 Base-Backbone interact. energy: -0.785 local terms energy: -202.676962 where: bonds (distance) C4'-P energy: -54.915 bonds (distance) P-C4' energy: -56.055 flat angles C4'-P-C4' energy: -57.265 flat angles P-C4'-P energy: -25.207 tors. eta vs tors. theta energy: -9.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -314.546243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.546243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.546243 (E_RNA) where: Base-Base interactions energy: -144.219 where: short stacking energy: -99.403 Base-Backbone interact. energy: -0.026 local terms energy: -170.300568 where: bonds (distance) C4'-P energy: -53.396 bonds (distance) P-C4' energy: -52.083 flat angles C4'-P-C4' energy: -42.847 flat angles P-C4'-P energy: -19.915 tors. eta vs tors. theta energy: -2.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -279.512243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.512243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.512243 (E_RNA) where: Base-Base interactions energy: -100.831 where: short stacking energy: -59.598 Base-Backbone interact. energy: 0.702 local terms energy: -179.383297 where: bonds (distance) C4'-P energy: -48.470 bonds (distance) P-C4' energy: -50.791 flat angles C4'-P-C4' energy: -60.231 flat angles P-C4'-P energy: -27.696 tors. eta vs tors. theta energy: 7.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -270.553754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.553754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.553754 (E_RNA) where: Base-Base interactions energy: -89.773 where: short stacking energy: -73.434 Base-Backbone interact. energy: -0.791 local terms energy: -179.989220 where: bonds (distance) C4'-P energy: -47.151 bonds (distance) P-C4' energy: -66.207 flat angles C4'-P-C4' energy: -35.648 flat angles P-C4'-P energy: -38.561 tors. eta vs tors. theta energy: 7.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -593.813103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.813103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.813103 (E_RNA) where: Base-Base interactions energy: -310.061 where: short stacking energy: -235.926 Base-Backbone interact. energy: -0.396 local terms energy: -283.356386 where: bonds (distance) C4'-P energy: -65.823 bonds (distance) P-C4' energy: -58.036 flat angles C4'-P-C4' energy: -61.963 flat angles P-C4'-P energy: -41.277 tors. eta vs tors. theta energy: -56.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -588.342598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.342598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.342598 (E_RNA) where: Base-Base interactions energy: -315.324 where: short stacking energy: -195.163 Base-Backbone interact. energy: -0.179 local terms energy: -272.839244 where: bonds (distance) C4'-P energy: -59.070 bonds (distance) P-C4' energy: -64.474 flat angles C4'-P-C4' energy: -70.759 flat angles P-C4'-P energy: -40.700 tors. eta vs tors. theta energy: -37.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -567.679100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.679100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.679100 (E_RNA) where: Base-Base interactions energy: -317.236 where: short stacking energy: -198.380 Base-Backbone interact. energy: 0.990 local terms energy: -251.433166 where: bonds (distance) C4'-P energy: -59.132 bonds (distance) P-C4' energy: -62.201 flat angles C4'-P-C4' energy: -55.431 flat angles P-C4'-P energy: -37.418 tors. eta vs tors. theta energy: -37.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -482.528171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.528171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.528171 (E_RNA) where: Base-Base interactions energy: -231.055 where: short stacking energy: -167.773 Base-Backbone interact. energy: -0.327 local terms energy: -251.146904 where: bonds (distance) C4'-P energy: -69.079 bonds (distance) P-C4' energy: -60.361 flat angles C4'-P-C4' energy: -48.161 flat angles P-C4'-P energy: -41.830 tors. eta vs tors. theta energy: -31.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -541.278602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.278602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.278602 (E_RNA) where: Base-Base interactions energy: -279.678 where: short stacking energy: -173.715 Base-Backbone interact. energy: -1.394 local terms energy: -260.205969 where: bonds (distance) C4'-P energy: -59.469 bonds (distance) P-C4' energy: -61.389 flat angles C4'-P-C4' energy: -56.940 flat angles P-C4'-P energy: -44.821 tors. eta vs tors. theta energy: -37.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -496.538192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.538192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.538192 (E_RNA) where: Base-Base interactions energy: -276.670 where: short stacking energy: -142.423 Base-Backbone interact. energy: -0.680 local terms energy: -219.187844 where: bonds (distance) C4'-P energy: -46.935 bonds (distance) P-C4' energy: -66.846 flat angles C4'-P-C4' energy: -55.554 flat angles P-C4'-P energy: -22.250 tors. eta vs tors. theta energy: -27.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -392.832313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.832313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.832313 (E_RNA) where: Base-Base interactions energy: -182.456 where: short stacking energy: -112.523 Base-Backbone interact. energy: 0.859 local terms energy: -211.235821 where: bonds (distance) C4'-P energy: -40.716 bonds (distance) P-C4' energy: -61.257 flat angles C4'-P-C4' energy: -53.277 flat angles P-C4'-P energy: -40.818 tors. eta vs tors. theta energy: -15.168 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: 9 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -322.493258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.493258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.493258 (E_RNA) where: Base-Base interactions energy: -135.422 where: short stacking energy: -90.201 Base-Backbone interact. energy: -0.172 local terms energy: -186.900163 where: bonds (distance) C4'-P energy: -43.448 bonds (distance) P-C4' energy: -58.630 flat angles C4'-P-C4' energy: -48.166 flat angles P-C4'-P energy: -43.237 tors. eta vs tors. theta energy: 6.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -294.133437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.133437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.133437 (E_RNA) where: Base-Base interactions energy: -124.187 where: short stacking energy: -81.241 Base-Backbone interact. energy: 1.724 local terms energy: -171.669807 where: bonds (distance) C4'-P energy: -60.892 bonds (distance) P-C4' energy: -62.914 flat angles C4'-P-C4' energy: -39.871 flat angles P-C4'-P energy: -19.008 tors. eta vs tors. theta energy: 11.015 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: 8 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -292.610354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.610354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.610354 (E_RNA) where: Base-Base interactions energy: -108.895 where: short stacking energy: -77.049 Base-Backbone interact. energy: -2.817 local terms energy: -180.898243 where: bonds (distance) C4'-P energy: -57.605 bonds (distance) P-C4' energy: -47.126 flat angles C4'-P-C4' energy: -46.535 flat angles P-C4'-P energy: -36.627 tors. eta vs tors. theta energy: 6.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -608.468759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.468759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.468759 (E_RNA) where: Base-Base interactions energy: -320.854 where: short stacking energy: -214.956 Base-Backbone interact. energy: -0.704 local terms energy: -286.910432 where: bonds (distance) C4'-P energy: -62.288 bonds (distance) P-C4' energy: -70.957 flat angles C4'-P-C4' energy: -64.522 flat angles P-C4'-P energy: -35.233 tors. eta vs tors. theta energy: -53.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -638.466277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.466277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.466277 (E_RNA) where: Base-Base interactions energy: -341.368 where: short stacking energy: -229.119 Base-Backbone interact. energy: 0.050 local terms energy: -297.148114 where: bonds (distance) C4'-P energy: -60.466 bonds (distance) P-C4' energy: -58.849 flat angles C4'-P-C4' energy: -67.699 flat angles P-C4'-P energy: -50.519 tors. eta vs tors. theta energy: -59.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -617.493495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.493495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.493495 (E_RNA) where: Base-Base interactions energy: -332.844 where: short stacking energy: -201.574 Base-Backbone interact. energy: -1.634 local terms energy: -283.015593 where: bonds (distance) C4'-P energy: -62.488 bonds (distance) P-C4' energy: -67.399 flat angles C4'-P-C4' energy: -64.963 flat angles P-C4'-P energy: -47.004 tors. eta vs tors. theta energy: -41.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -589.585612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.585612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.585612 (E_RNA) where: Base-Base interactions energy: -343.805 where: short stacking energy: -181.584 Base-Backbone interact. energy: -1.109 local terms energy: -244.671863 where: bonds (distance) C4'-P energy: -61.362 bonds (distance) P-C4' energy: -60.670 flat angles C4'-P-C4' energy: -62.492 flat angles P-C4'-P energy: -30.246 tors. eta vs tors. theta energy: -29.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -520.078623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.078623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.078623 (E_RNA) where: Base-Base interactions energy: -299.437 where: short stacking energy: -156.393 Base-Backbone interact. energy: -1.638 local terms energy: -219.004506 where: bonds (distance) C4'-P energy: -51.843 bonds (distance) P-C4' energy: -57.964 flat angles C4'-P-C4' energy: -52.888 flat angles P-C4'-P energy: -36.790 tors. eta vs tors. theta energy: -19.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -554.173224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.173224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.173224 (E_RNA) where: Base-Base interactions energy: -330.852 where: short stacking energy: -157.351 Base-Backbone interact. energy: 0.847 local terms energy: -224.168336 where: bonds (distance) C4'-P energy: -56.951 bonds (distance) P-C4' energy: -60.232 flat angles C4'-P-C4' energy: -49.295 flat angles P-C4'-P energy: -28.420 tors. eta vs tors. theta energy: -29.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -406.258217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.258217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.258217 (E_RNA) where: Base-Base interactions energy: -205.232 where: short stacking energy: -124.952 Base-Backbone interact. energy: -1.262 local terms energy: -199.764409 where: bonds (distance) C4'-P energy: -53.371 bonds (distance) P-C4' energy: -55.614 flat angles C4'-P-C4' energy: -55.739 flat angles P-C4'-P energy: -25.823 tors. eta vs tors. theta energy: -9.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -447.631514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.631514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.631514 (E_RNA) where: Base-Base interactions energy: -249.557 where: short stacking energy: -138.084 Base-Backbone interact. energy: 0.873 local terms energy: -198.947926 where: bonds (distance) C4'-P energy: -42.819 bonds (distance) P-C4' energy: -49.428 flat angles C4'-P-C4' energy: -59.450 flat angles P-C4'-P energy: -33.347 tors. eta vs tors. theta energy: -13.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -278.846403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.846403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.846403 (E_RNA) where: Base-Base interactions energy: -85.157 where: short stacking energy: -84.711 Base-Backbone interact. energy: 0.663 local terms energy: -194.352671 where: bonds (distance) C4'-P energy: -49.792 bonds (distance) P-C4' energy: -55.830 flat angles C4'-P-C4' energy: -51.013 flat angles P-C4'-P energy: -30.683 tors. eta vs tors. theta energy: -7.034 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: 5 Temperature: 1.350000 Total energy: -299.707896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.707896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.707896 (E_RNA) where: Base-Base interactions energy: -134.712 where: short stacking energy: -97.742 Base-Backbone interact. energy: 3.668 local terms energy: -168.663716 where: bonds (distance) C4'-P energy: -48.343 bonds (distance) P-C4' energy: -56.264 flat angles C4'-P-C4' energy: -44.448 flat angles P-C4'-P energy: -32.830 tors. eta vs tors. theta energy: 13.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -600.297904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.297904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.297904 (E_RNA) where: Base-Base interactions energy: -302.864 where: short stacking energy: -216.827 Base-Backbone interact. energy: -0.519 local terms energy: -296.914907 where: bonds (distance) C4'-P energy: -59.853 bonds (distance) P-C4' energy: -72.686 flat angles C4'-P-C4' energy: -64.835 flat angles P-C4'-P energy: -42.652 tors. eta vs tors. theta energy: -56.888 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: 2, replica: 4 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -653.520200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.520200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.520200 (E_RNA) where: Base-Base interactions energy: -360.649 where: short stacking energy: -208.226 Base-Backbone interact. energy: -1.933 local terms energy: -290.937810 where: bonds (distance) C4'-P energy: -55.869 bonds (distance) P-C4' energy: -70.323 flat angles C4'-P-C4' energy: -65.840 flat angles P-C4'-P energy: -44.087 tors. eta vs tors. theta energy: -54.819 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: 5 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -653.789775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.789775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.789775 (E_RNA) where: Base-Base interactions energy: -390.932 where: short stacking energy: -187.381 Base-Backbone interact. energy: -0.850 local terms energy: -262.008146 where: bonds (distance) C4'-P energy: -58.157 bonds (distance) P-C4' energy: -65.680 flat angles C4'-P-C4' energy: -61.553 flat angles P-C4'-P energy: -43.985 tors. eta vs tors. theta energy: -32.632 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: 2 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -638.944425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.944425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.944425 (E_RNA) where: Base-Base interactions energy: -360.044 where: short stacking energy: -207.721 Base-Backbone interact. energy: -0.795 local terms energy: -278.104837 where: bonds (distance) C4'-P energy: -59.739 bonds (distance) P-C4' energy: -61.407 flat angles C4'-P-C4' energy: -61.232 flat angles P-C4'-P energy: -39.331 tors. eta vs tors. theta energy: -56.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -659.460219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.460219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.460219 (E_RNA) where: Base-Base interactions energy: -393.409 where: short stacking energy: -174.218 Base-Backbone interact. energy: -2.382 local terms energy: -263.668957 where: bonds (distance) C4'-P energy: -54.975 bonds (distance) P-C4' energy: -65.099 flat angles C4'-P-C4' energy: -60.432 flat angles P-C4'-P energy: -40.130 tors. eta vs tors. theta energy: -43.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -515.157141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.157141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.157141 (E_RNA) where: Base-Base interactions energy: -291.016 where: short stacking energy: -172.299 Base-Backbone interact. energy: -1.458 local terms energy: -222.683052 where: bonds (distance) C4'-P energy: -56.909 bonds (distance) P-C4' energy: -69.348 flat angles C4'-P-C4' energy: -45.429 flat angles P-C4'-P energy: -18.399 tors. eta vs tors. theta energy: -32.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -541.965101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.965101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.965101 (E_RNA) where: Base-Base interactions energy: -316.022 where: short stacking energy: -156.890 Base-Backbone interact. energy: -1.437 local terms energy: -224.506612 where: bonds (distance) C4'-P energy: -56.573 bonds (distance) P-C4' energy: -58.849 flat angles C4'-P-C4' energy: -44.983 flat angles P-C4'-P energy: -37.313 tors. eta vs tors. theta energy: -26.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -415.476146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.476146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.476146 (E_RNA) where: Base-Base interactions energy: -215.694 where: short stacking energy: -110.878 Base-Backbone interact. energy: -0.468 local terms energy: -199.314787 where: bonds (distance) C4'-P energy: -56.073 bonds (distance) P-C4' energy: -63.572 flat angles C4'-P-C4' energy: -48.586 flat angles P-C4'-P energy: -28.798 tors. eta vs tors. theta energy: -2.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -289.326802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.326802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.326802 (E_RNA) where: Base-Base interactions energy: -110.554 where: short stacking energy: -94.178 Base-Backbone interact. energy: 0.107 local terms energy: -178.879475 where: bonds (distance) C4'-P energy: -49.736 bonds (distance) P-C4' energy: -51.288 flat angles C4'-P-C4' energy: -48.474 flat angles P-C4'-P energy: -29.103 tors. eta vs tors. theta energy: -0.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -326.672325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.672325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.672325 (E_RNA) where: Base-Base interactions energy: -137.925 where: short stacking energy: -109.928 Base-Backbone interact. energy: -0.810 local terms energy: -187.938018 where: bonds (distance) C4'-P energy: -54.695 bonds (distance) P-C4' energy: -52.298 flat angles C4'-P-C4' energy: -51.142 flat angles P-C4'-P energy: -27.071 tors. eta vs tors. theta energy: -2.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -674.770385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.770385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.770385 (E_RNA) where: Base-Base interactions energy: -380.652 where: short stacking energy: -219.767 Base-Backbone interact. energy: -0.457 local terms energy: -293.661584 where: bonds (distance) C4'-P energy: -65.317 bonds (distance) P-C4' energy: -69.753 flat angles C4'-P-C4' energy: -62.356 flat angles P-C4'-P energy: -40.756 tors. eta vs tors. theta energy: -55.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -795.612766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.612766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.612766 (E_RNA) where: Base-Base interactions energy: -518.341 where: short stacking energy: -236.040 Base-Backbone interact. energy: -2.450 local terms energy: -274.821618 where: bonds (distance) C4'-P energy: -66.567 bonds (distance) P-C4' energy: -57.658 flat angles C4'-P-C4' energy: -61.510 flat angles P-C4'-P energy: -39.108 tors. eta vs tors. theta energy: -49.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -655.560951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.560951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.560951 (E_RNA) where: Base-Base interactions energy: -382.682 where: short stacking energy: -219.106 Base-Backbone interact. energy: -0.411 local terms energy: -272.468864 where: bonds (distance) C4'-P energy: -62.315 bonds (distance) P-C4' energy: -66.632 flat angles C4'-P-C4' energy: -57.280 flat angles P-C4'-P energy: -32.849 tors. eta vs tors. theta energy: -53.392 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: 7 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -662.354008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.354008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.354008 (E_RNA) where: Base-Base interactions energy: -392.330 where: short stacking energy: -190.258 Base-Backbone interact. energy: -1.393 local terms energy: -268.631540 where: bonds (distance) C4'-P energy: -56.721 bonds (distance) P-C4' energy: -64.968 flat angles C4'-P-C4' energy: -64.430 flat angles P-C4'-P energy: -48.142 tors. eta vs tors. theta energy: -34.370 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: 2 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -624.178653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.178653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.178653 (E_RNA) where: Base-Base interactions energy: -359.139 where: short stacking energy: -193.782 Base-Backbone interact. energy: -0.774 local terms energy: -264.266431 where: bonds (distance) C4'-P energy: -52.158 bonds (distance) P-C4' energy: -50.426 flat angles C4'-P-C4' energy: -60.444 flat angles P-C4'-P energy: -42.687 tors. eta vs tors. theta energy: -58.551 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: 9 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -613.398471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.398471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.398471 (E_RNA) where: Base-Base interactions energy: -363.242 where: short stacking energy: -182.184 Base-Backbone interact. energy: -2.331 local terms energy: -247.825771 where: bonds (distance) C4'-P energy: -60.750 bonds (distance) P-C4' energy: -61.014 flat angles C4'-P-C4' energy: -52.874 flat angles P-C4'-P energy: -33.455 tors. eta vs tors. theta energy: -39.732 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: 3 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -444.785466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.785466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.785466 (E_RNA) where: Base-Base interactions energy: -232.322 where: short stacking energy: -124.959 Base-Backbone interact. energy: 1.748 local terms energy: -214.211488 where: bonds (distance) C4'-P energy: -52.288 bonds (distance) P-C4' energy: -61.306 flat angles C4'-P-C4' energy: -58.363 flat angles P-C4'-P energy: -23.361 tors. eta vs tors. theta energy: -18.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -391.369764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.369764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.369764 (E_RNA) where: Base-Base interactions energy: -191.290 where: short stacking energy: -108.552 Base-Backbone interact. energy: -1.078 local terms energy: -199.001934 where: bonds (distance) C4'-P energy: -46.758 bonds (distance) P-C4' energy: -48.425 flat angles C4'-P-C4' energy: -60.845 flat angles P-C4'-P energy: -38.785 tors. eta vs tors. theta energy: -4.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -280.518276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.518276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.518276 (E_RNA) where: Base-Base interactions energy: -113.264 where: short stacking energy: -104.128 Base-Backbone interact. energy: -1.220 local terms energy: -166.034859 where: bonds (distance) C4'-P energy: -52.652 bonds (distance) P-C4' energy: -50.342 flat angles C4'-P-C4' energy: -32.778 flat angles P-C4'-P energy: -29.206 tors. eta vs tors. theta energy: -1.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -307.254773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.254773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.254773 (E_RNA) where: Base-Base interactions energy: -142.322 where: short stacking energy: -91.235 Base-Backbone interact. energy: -2.031 local terms energy: -162.901948 where: bonds (distance) C4'-P energy: -38.591 bonds (distance) P-C4' energy: -60.888 flat angles C4'-P-C4' energy: -41.936 flat angles P-C4'-P energy: -16.334 tors. eta vs tors. theta energy: -5.152 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: 5 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -870.980324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.980324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.980324 (E_RNA) where: Base-Base interactions energy: -557.163 where: short stacking energy: -255.915 Base-Backbone interact. energy: 0.581 local terms energy: -314.398497 where: bonds (distance) C4'-P energy: -66.538 bonds (distance) P-C4' energy: -66.084 flat angles C4'-P-C4' energy: -71.918 flat angles P-C4'-P energy: -43.345 tors. eta vs tors. theta energy: -66.513 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: 1 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -702.519077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.519077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.519077 (E_RNA) where: Base-Base interactions energy: -411.365 where: short stacking energy: -228.094 Base-Backbone interact. energy: -1.464 local terms energy: -289.690687 where: bonds (distance) C4'-P energy: -58.620 bonds (distance) P-C4' energy: -71.141 flat angles C4'-P-C4' energy: -69.993 flat angles P-C4'-P energy: -38.539 tors. eta vs tors. theta energy: -51.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -704.154528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.154528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.154528 (E_RNA) where: Base-Base interactions energy: -420.848 where: short stacking energy: -218.267 Base-Backbone interact. energy: -1.608 local terms energy: -281.698062 where: bonds (distance) C4'-P energy: -59.412 bonds (distance) P-C4' energy: -57.340 flat angles C4'-P-C4' energy: -68.693 flat angles P-C4'-P energy: -38.037 tors. eta vs tors. theta energy: -58.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -642.306621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.306621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.306621 (E_RNA) where: Base-Base interactions energy: -380.539 where: short stacking energy: -196.099 Base-Backbone interact. energy: -0.475 local terms energy: -261.292673 where: bonds (distance) C4'-P energy: -52.166 bonds (distance) P-C4' energy: -56.695 flat angles C4'-P-C4' energy: -73.483 flat angles P-C4'-P energy: -35.407 tors. eta vs tors. theta energy: -43.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -646.018410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.018410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.018410 (E_RNA) where: Base-Base interactions energy: -391.714 where: short stacking energy: -168.092 Base-Backbone interact. energy: -1.717 local terms energy: -252.587725 where: bonds (distance) C4'-P energy: -62.558 bonds (distance) P-C4' energy: -72.459 flat angles C4'-P-C4' energy: -48.619 flat angles P-C4'-P energy: -34.198 tors. eta vs tors. theta energy: -34.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -649.587068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.587068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.587068 (E_RNA) where: Base-Base interactions energy: -388.356 where: short stacking energy: -214.431 Base-Backbone interact. energy: -0.120 local terms energy: -261.111849 where: bonds (distance) C4'-P energy: -58.559 bonds (distance) P-C4' energy: -53.006 flat angles C4'-P-C4' energy: -67.522 flat angles P-C4'-P energy: -33.630 tors. eta vs tors. theta energy: -48.395 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: 6 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -471.796026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.796026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.796026 (E_RNA) where: Base-Base interactions energy: -248.697 where: short stacking energy: -160.239 Base-Backbone interact. energy: -0.657 local terms energy: -222.442754 where: bonds (distance) C4'-P energy: -59.525 bonds (distance) P-C4' energy: -64.753 flat angles C4'-P-C4' energy: -46.005 flat angles P-C4'-P energy: -26.630 tors. eta vs tors. theta energy: -25.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -366.683332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.683332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.683332 (E_RNA) where: Base-Base interactions energy: -160.586 where: short stacking energy: -113.239 Base-Backbone interact. energy: -1.902 local terms energy: -204.194959 where: bonds (distance) C4'-P energy: -46.446 bonds (distance) P-C4' energy: -59.740 flat angles C4'-P-C4' energy: -56.987 flat angles P-C4'-P energy: -32.519 tors. eta vs tors. theta energy: -8.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -304.194820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.194820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.194820 (E_RNA) where: Base-Base interactions energy: -134.632 where: short stacking energy: -112.535 Base-Backbone interact. energy: -1.939 local terms energy: -167.623766 where: bonds (distance) C4'-P energy: -50.877 bonds (distance) P-C4' energy: -65.296 flat angles C4'-P-C4' energy: -33.962 flat angles P-C4'-P energy: -23.987 tors. eta vs tors. theta energy: 6.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -263.985631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.985631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.985631 (E_RNA) where: Base-Base interactions energy: -74.102 where: short stacking energy: -44.866 Base-Backbone interact. energy: 2.869 local terms energy: -192.752399 where: bonds (distance) C4'-P energy: -59.504 bonds (distance) P-C4' energy: -54.050 flat angles C4'-P-C4' energy: -49.104 flat angles P-C4'-P energy: -45.184 tors. eta vs tors. theta energy: 15.089 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: 5 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -904.297148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.297148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.297148 (E_RNA) where: Base-Base interactions energy: -584.708 where: short stacking energy: -270.261 Base-Backbone interact. energy: -3.543 local terms energy: -316.045900 where: bonds (distance) C4'-P energy: -68.185 bonds (distance) P-C4' energy: -64.757 flat angles C4'-P-C4' energy: -65.178 flat angles P-C4'-P energy: -38.428 tors. eta vs tors. theta energy: -79.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -734.253325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.253325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.253325 (E_RNA) where: Base-Base interactions energy: -450.399 where: short stacking energy: -240.440 Base-Backbone interact. energy: -0.958 local terms energy: -282.896612 where: bonds (distance) C4'-P energy: -59.054 bonds (distance) P-C4' energy: -67.508 flat angles C4'-P-C4' energy: -63.855 flat angles P-C4'-P energy: -37.734 tors. eta vs tors. theta energy: -54.746 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: 7 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -712.494924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.494924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.494924 (E_RNA) where: Base-Base interactions energy: -441.575 where: short stacking energy: -238.242 Base-Backbone interact. energy: -1.031 local terms energy: -269.889300 where: bonds (distance) C4'-P energy: -49.125 bonds (distance) P-C4' energy: -68.713 flat angles C4'-P-C4' energy: -67.737 flat angles P-C4'-P energy: -27.512 tors. eta vs tors. theta energy: -56.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -687.247373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.247373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.247373 (E_RNA) where: Base-Base interactions energy: -407.499 where: short stacking energy: -207.579 Base-Backbone interact. energy: -1.953 local terms energy: -277.795706 where: bonds (distance) C4'-P energy: -53.801 bonds (distance) P-C4' energy: -58.468 flat angles C4'-P-C4' energy: -66.793 flat angles P-C4'-P energy: -45.001 tors. eta vs tors. theta energy: -53.732 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: 4 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -647.956870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.956870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.956870 (E_RNA) where: Base-Base interactions energy: -393.937 where: short stacking energy: -173.377 Base-Backbone interact. energy: -0.858 local terms energy: -253.161119 where: bonds (distance) C4'-P energy: -60.730 bonds (distance) P-C4' energy: -63.284 flat angles C4'-P-C4' energy: -55.586 flat angles P-C4'-P energy: -39.079 tors. eta vs tors. theta energy: -34.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -638.999340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.999340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.999340 (E_RNA) where: Base-Base interactions energy: -391.335 where: short stacking energy: -198.938 Base-Backbone interact. energy: 0.530 local terms energy: -248.194836 where: bonds (distance) C4'-P energy: -53.203 bonds (distance) P-C4' energy: -57.570 flat angles C4'-P-C4' energy: -56.356 flat angles P-C4'-P energy: -33.972 tors. eta vs tors. theta energy: -47.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -519.733438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.733438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.733438 (E_RNA) where: Base-Base interactions energy: -297.210 where: short stacking energy: -146.533 Base-Backbone interact. energy: 1.384 local terms energy: -223.908067 where: bonds (distance) C4'-P energy: -49.165 bonds (distance) P-C4' energy: -59.559 flat angles C4'-P-C4' energy: -59.923 flat angles P-C4'-P energy: -24.297 tors. eta vs tors. theta energy: -30.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -375.510817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.510817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.510817 (E_RNA) where: Base-Base interactions energy: -168.718 where: short stacking energy: -123.182 Base-Backbone interact. energy: 0.128 local terms energy: -206.920762 where: bonds (distance) C4'-P energy: -52.980 bonds (distance) P-C4' energy: -57.909 flat angles C4'-P-C4' energy: -56.637 flat angles P-C4'-P energy: -31.434 tors. eta vs tors. theta energy: -7.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -294.466727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.466727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.466727 (E_RNA) where: Base-Base interactions energy: -122.134 where: short stacking energy: -59.585 Base-Backbone interact. energy: -1.278 local terms energy: -171.054856 where: bonds (distance) C4'-P energy: -47.267 bonds (distance) P-C4' energy: -50.536 flat angles C4'-P-C4' energy: -52.855 flat angles P-C4'-P energy: -35.326 tors. eta vs tors. theta energy: 14.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -263.870823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.870823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.870823 (E_RNA) where: Base-Base interactions energy: -108.249 where: short stacking energy: -78.158 Base-Backbone interact. energy: 4.945 local terms energy: -160.566980 where: bonds (distance) C4'-P energy: -53.984 bonds (distance) P-C4' energy: -60.659 flat angles C4'-P-C4' energy: -33.315 flat angles P-C4'-P energy: -23.827 tors. eta vs tors. theta energy: 11.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -881.287760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.287760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.287760 (E_RNA) where: Base-Base interactions energy: -580.240 where: short stacking energy: -262.941 Base-Backbone interact. energy: -1.596 local terms energy: -299.450837 where: bonds (distance) C4'-P energy: -56.734 bonds (distance) P-C4' energy: -63.288 flat angles C4'-P-C4' energy: -67.282 flat angles P-C4'-P energy: -46.021 tors. eta vs tors. theta energy: -66.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -755.301134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.301134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.301134 (E_RNA) where: Base-Base interactions energy: -454.979 where: short stacking energy: -247.017 Base-Backbone interact. energy: -1.611 local terms energy: -298.711868 where: bonds (distance) C4'-P energy: -56.387 bonds (distance) P-C4' energy: -65.319 flat angles C4'-P-C4' energy: -64.648 flat angles P-C4'-P energy: -46.459 tors. eta vs tors. theta energy: -65.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -758.348885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.348885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.348885 (E_RNA) where: Base-Base interactions energy: -470.424 where: short stacking energy: -251.874 Base-Backbone interact. energy: 0.260 local terms energy: -288.184935 where: bonds (distance) C4'-P energy: -58.645 bonds (distance) P-C4' energy: -60.922 flat angles C4'-P-C4' energy: -67.993 flat angles P-C4'-P energy: -34.229 tors. eta vs tors. theta energy: -66.396 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: 2 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -755.309088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.309088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.309088 (E_RNA) where: Base-Base interactions energy: -490.317 where: short stacking energy: -217.514 Base-Backbone interact. energy: -1.530 local terms energy: -263.462307 where: bonds (distance) C4'-P energy: -46.847 bonds (distance) P-C4' energy: -61.013 flat angles C4'-P-C4' energy: -54.134 flat angles P-C4'-P energy: -43.219 tors. eta vs tors. theta energy: -58.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -695.579821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.579821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.579821 (E_RNA) where: Base-Base interactions energy: -420.836 where: short stacking energy: -224.994 Base-Backbone interact. energy: -2.363 local terms energy: -272.380657 where: bonds (distance) C4'-P energy: -52.737 bonds (distance) P-C4' energy: -66.242 flat angles C4'-P-C4' energy: -62.587 flat angles P-C4'-P energy: -43.391 tors. eta vs tors. theta energy: -47.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -638.876400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.876400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.876400 (E_RNA) where: Base-Base interactions energy: -393.324 where: short stacking energy: -194.189 Base-Backbone interact. energy: -0.360 local terms energy: -245.192015 where: bonds (distance) C4'-P energy: -54.853 bonds (distance) P-C4' energy: -58.967 flat angles C4'-P-C4' energy: -57.019 flat angles P-C4'-P energy: -39.059 tors. eta vs tors. theta energy: -35.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -478.718527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.718527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.718527 (E_RNA) where: Base-Base interactions energy: -258.203 where: short stacking energy: -139.100 Base-Backbone interact. energy: -0.570 local terms energy: -219.945362 where: bonds (distance) C4'-P energy: -54.649 bonds (distance) P-C4' energy: -61.522 flat angles C4'-P-C4' energy: -44.435 flat angles P-C4'-P energy: -36.127 tors. eta vs tors. theta energy: -23.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -367.094929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.094929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.094929 (E_RNA) where: Base-Base interactions energy: -169.867 where: short stacking energy: -118.966 Base-Backbone interact. energy: 2.079 local terms energy: -199.306018 where: bonds (distance) C4'-P energy: -58.094 bonds (distance) P-C4' energy: -56.075 flat angles C4'-P-C4' energy: -46.692 flat angles P-C4'-P energy: -27.946 tors. eta vs tors. theta energy: -10.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -329.696387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.696387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.696387 (E_RNA) where: Base-Base interactions energy: -147.168 where: short stacking energy: -102.167 Base-Backbone interact. energy: -0.053 local terms energy: -182.475025 where: bonds (distance) C4'-P energy: -51.564 bonds (distance) P-C4' energy: -46.660 flat angles C4'-P-C4' energy: -46.282 flat angles P-C4'-P energy: -30.108 tors. eta vs tors. theta energy: -7.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -285.856895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.856895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.856895 (E_RNA) where: Base-Base interactions energy: -106.423 where: short stacking energy: -79.098 Base-Backbone interact. energy: 0.665 local terms energy: -180.098789 where: bonds (distance) C4'-P energy: -57.533 bonds (distance) P-C4' energy: -56.047 flat angles C4'-P-C4' energy: -30.587 flat angles P-C4'-P energy: -31.310 tors. eta vs tors. theta energy: -4.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -932.853626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.853626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.853626 (E_RNA) where: Base-Base interactions energy: -632.882 where: short stacking energy: -279.084 Base-Backbone interact. energy: -3.246 local terms energy: -296.725707 where: bonds (distance) C4'-P energy: -55.665 bonds (distance) P-C4' energy: -67.411 flat angles C4'-P-C4' energy: -60.780 flat angles P-C4'-P energy: -39.372 tors. eta vs tors. theta energy: -73.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -820.115011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.115011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.115011 (E_RNA) where: Base-Base interactions energy: -513.578 where: short stacking energy: -264.348 Base-Backbone interact. energy: -1.546 local terms energy: -304.991096 where: bonds (distance) C4'-P energy: -64.555 bonds (distance) P-C4' energy: -67.316 flat angles C4'-P-C4' energy: -59.411 flat angles P-C4'-P energy: -45.482 tors. eta vs tors. theta energy: -68.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -745.305662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.305662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.305662 (E_RNA) where: Base-Base interactions energy: -435.678 where: short stacking energy: -242.323 Base-Backbone interact. energy: 0.821 local terms energy: -310.448791 where: bonds (distance) C4'-P energy: -62.542 bonds (distance) P-C4' energy: -70.195 flat angles C4'-P-C4' energy: -65.955 flat angles P-C4'-P energy: -47.039 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: 4, replica: 2 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -797.803022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.803022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.803022 (E_RNA) where: Base-Base interactions energy: -513.164 where: short stacking energy: -248.397 Base-Backbone interact. energy: -1.677 local terms energy: -282.961766 where: bonds (distance) C4'-P energy: -65.059 bonds (distance) P-C4' energy: -49.945 flat angles C4'-P-C4' energy: -64.591 flat angles P-C4'-P energy: -37.552 tors. eta vs tors. theta energy: -65.815 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: 9 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -677.723402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.723402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.723402 (E_RNA) where: Base-Base interactions energy: -415.705 where: short stacking energy: -183.084 Base-Backbone interact. energy: -0.484 local terms energy: -261.534005 where: bonds (distance) C4'-P energy: -58.736 bonds (distance) P-C4' energy: -59.611 flat angles C4'-P-C4' energy: -56.252 flat angles P-C4'-P energy: -37.792 tors. eta vs tors. theta energy: -49.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -634.249514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.249514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.249514 (E_RNA) where: Base-Base interactions energy: -390.754 where: short stacking energy: -170.098 Base-Backbone interact. energy: -0.711 local terms energy: -242.784946 where: bonds (distance) C4'-P energy: -52.916 bonds (distance) P-C4' energy: -63.430 flat angles C4'-P-C4' energy: -60.733 flat angles P-C4'-P energy: -33.679 tors. eta vs tors. theta energy: -32.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -449.976006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.976006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.976006 (E_RNA) where: Base-Base interactions energy: -244.608 where: short stacking energy: -140.905 Base-Backbone interact. energy: -1.229 local terms energy: -204.139261 where: bonds (distance) C4'-P energy: -46.727 bonds (distance) P-C4' energy: -60.177 flat angles C4'-P-C4' energy: -45.668 flat angles P-C4'-P energy: -32.319 tors. eta vs tors. theta energy: -19.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -378.281685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.281685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.281685 (E_RNA) where: Base-Base interactions energy: -182.083 where: short stacking energy: -121.272 Base-Backbone interact. energy: -0.100 local terms energy: -196.098675 where: bonds (distance) C4'-P energy: -51.882 bonds (distance) P-C4' energy: -49.904 flat angles C4'-P-C4' energy: -53.103 flat angles P-C4'-P energy: -22.344 tors. eta vs tors. theta energy: -18.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -279.505685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.505685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.505685 (E_RNA) where: Base-Base interactions energy: -97.761 where: short stacking energy: -75.609 Base-Backbone interact. energy: 2.754 local terms energy: -184.499148 where: bonds (distance) C4'-P energy: -51.861 bonds (distance) P-C4' energy: -52.452 flat angles C4'-P-C4' energy: -50.121 flat angles P-C4'-P energy: -24.437 tors. eta vs tors. theta energy: -5.628 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: 3 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -309.269839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.269839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.269839 (E_RNA) where: Base-Base interactions energy: -118.143 where: short stacking energy: -98.975 Base-Backbone interact. energy: 5.762 local terms energy: -196.888152 where: bonds (distance) C4'-P energy: -46.630 bonds (distance) P-C4' energy: -56.437 flat angles C4'-P-C4' energy: -50.464 flat angles P-C4'-P energy: -36.562 tors. eta vs tors. theta energy: -6.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -951.991699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.991699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.991699 (E_RNA) where: Base-Base interactions energy: -634.294 where: short stacking energy: -272.053 Base-Backbone interact. energy: -1.301 local terms energy: -316.397189 where: bonds (distance) C4'-P energy: -65.736 bonds (distance) P-C4' energy: -66.266 flat angles C4'-P-C4' energy: -72.079 flat angles P-C4'-P energy: -43.375 tors. eta vs tors. theta energy: -68.941 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: 7 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -800.232311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.232311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.232311 (E_RNA) where: Base-Base interactions energy: -503.594 where: short stacking energy: -258.609 Base-Backbone interact. energy: -1.719 local terms energy: -294.919345 where: bonds (distance) C4'-P energy: -67.696 bonds (distance) P-C4' energy: -67.660 flat angles C4'-P-C4' energy: -60.581 flat angles P-C4'-P energy: -37.568 tors. eta vs tors. theta energy: -61.415 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: 2 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -875.895211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.895211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.895211 (E_RNA) where: Base-Base interactions energy: -570.805 where: short stacking energy: -251.424 Base-Backbone interact. energy: -0.600 local terms energy: -304.490759 where: bonds (distance) C4'-P energy: -56.946 bonds (distance) P-C4' energy: -68.293 flat angles C4'-P-C4' energy: -67.297 flat angles P-C4'-P energy: -41.013 tors. eta vs tors. theta energy: -70.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -722.266018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.266018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.266018 (E_RNA) where: Base-Base interactions energy: -438.810 where: short stacking energy: -233.848 Base-Backbone interact. energy: -1.135 local terms energy: -282.321031 where: bonds (distance) C4'-P energy: -60.775 bonds (distance) P-C4' energy: -60.994 flat angles C4'-P-C4' energy: -58.031 flat angles P-C4'-P energy: -38.180 tors. eta vs tors. theta energy: -64.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -690.282487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.282487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.282487 (E_RNA) where: Base-Base interactions energy: -431.100 where: short stacking energy: -194.804 Base-Backbone interact. energy: -2.082 local terms energy: -257.100665 where: bonds (distance) C4'-P energy: -50.270 bonds (distance) P-C4' energy: -65.668 flat angles C4'-P-C4' energy: -69.454 flat angles P-C4'-P energy: -28.098 tors. eta vs tors. theta energy: -43.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -585.453383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.453383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.453383 (E_RNA) where: Base-Base interactions energy: -368.898 where: short stacking energy: -186.210 Base-Backbone interact. energy: -1.090 local terms energy: -215.465609 where: bonds (distance) C4'-P energy: -48.492 bonds (distance) P-C4' energy: -42.208 flat angles C4'-P-C4' energy: -52.074 flat angles P-C4'-P energy: -29.864 tors. eta vs tors. theta energy: -42.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -500.602837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.602837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.602837 (E_RNA) where: Base-Base interactions energy: -288.345 where: short stacking energy: -153.196 Base-Backbone interact. energy: 1.990 local terms energy: -214.247807 where: bonds (distance) C4'-P energy: -50.185 bonds (distance) P-C4' energy: -52.830 flat angles C4'-P-C4' energy: -56.083 flat angles P-C4'-P energy: -34.826 tors. eta vs tors. theta energy: -20.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -383.311060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.311060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.311060 (E_RNA) where: Base-Base interactions energy: -183.970 where: short stacking energy: -113.658 Base-Backbone interact. energy: 3.236 local terms energy: -202.577458 where: bonds (distance) C4'-P energy: -55.140 bonds (distance) P-C4' energy: -63.278 flat angles C4'-P-C4' energy: -51.694 flat angles P-C4'-P energy: -19.326 tors. eta vs tors. theta energy: -13.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -291.853264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.853264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.853264 (E_RNA) where: Base-Base interactions energy: -100.110 where: short stacking energy: -84.854 Base-Backbone interact. energy: 3.357 local terms energy: -195.099842 where: bonds (distance) C4'-P energy: -45.345 bonds (distance) P-C4' energy: -55.137 flat angles C4'-P-C4' energy: -55.963 flat angles P-C4'-P energy: -30.342 tors. eta vs tors. theta energy: -8.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -312.116383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.116383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.116383 (E_RNA) where: Base-Base interactions energy: -134.851 where: short stacking energy: -86.543 Base-Backbone interact. energy: 2.416 local terms energy: -179.681698 where: bonds (distance) C4'-P energy: -54.298 bonds (distance) P-C4' energy: -56.308 flat angles C4'-P-C4' energy: -39.783 flat angles P-C4'-P energy: -32.563 tors. eta vs tors. theta energy: 3.271 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: 5 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -935.604168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.604168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.604168 (E_RNA) where: Base-Base interactions energy: -630.914 where: short stacking energy: -281.071 Base-Backbone interact. energy: -1.150 local terms energy: -303.540428 where: bonds (distance) C4'-P energy: -60.453 bonds (distance) P-C4' energy: -54.927 flat angles C4'-P-C4' energy: -69.050 flat angles P-C4'-P energy: -49.556 tors. eta vs tors. theta energy: -69.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -901.338095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.338095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.338095 (E_RNA) where: Base-Base interactions energy: -604.299 where: short stacking energy: -263.976 Base-Backbone interact. energy: -0.451 local terms energy: -296.588337 where: bonds (distance) C4'-P energy: -60.761 bonds (distance) P-C4' energy: -54.524 flat angles C4'-P-C4' energy: -64.703 flat angles P-C4'-P energy: -45.765 tors. eta vs tors. theta energy: -70.836 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: 7 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -793.962562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.962562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.962562 (E_RNA) where: Base-Base interactions energy: -500.210 where: short stacking energy: -248.473 Base-Backbone interact. energy: -0.981 local terms energy: -292.771352 where: bonds (distance) C4'-P energy: -64.113 bonds (distance) P-C4' energy: -63.799 flat angles C4'-P-C4' energy: -65.310 flat angles P-C4'-P energy: -42.605 tors. eta vs tors. theta energy: -56.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -709.041106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.041106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.041106 (E_RNA) where: Base-Base interactions energy: -427.969 where: short stacking energy: -231.802 Base-Backbone interact. energy: -1.352 local terms energy: -279.720032 where: bonds (distance) C4'-P energy: -64.504 bonds (distance) P-C4' energy: -44.601 flat angles C4'-P-C4' energy: -70.289 flat angles P-C4'-P energy: -38.091 tors. eta vs tors. theta energy: -62.235 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: 5, replica: 9 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -680.318456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.318456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.318456 (E_RNA) where: Base-Base interactions energy: -405.964 where: short stacking energy: -186.017 Base-Backbone interact. energy: 0.920 local terms energy: -275.274845 where: bonds (distance) C4'-P energy: -55.874 bonds (distance) P-C4' energy: -58.866 flat angles C4'-P-C4' energy: -64.814 flat angles P-C4'-P energy: -44.478 tors. eta vs tors. theta energy: -51.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -570.991478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.991478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.991478 (E_RNA) where: Base-Base interactions energy: -349.077 where: short stacking energy: -196.981 Base-Backbone interact. energy: 8.211 local terms energy: -230.125438 where: bonds (distance) C4'-P energy: -48.810 bonds (distance) P-C4' energy: -56.094 flat angles C4'-P-C4' energy: -59.318 flat angles P-C4'-P energy: -31.818 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: 7, replica: 6 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -505.326319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.326319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.326319 (E_RNA) where: Base-Base interactions energy: -283.856 where: short stacking energy: -136.668 Base-Backbone interact. energy: -2.404 local terms energy: -219.066954 where: bonds (distance) C4'-P energy: -56.909 bonds (distance) P-C4' energy: -63.191 flat angles C4'-P-C4' energy: -52.763 flat angles P-C4'-P energy: -28.675 tors. eta vs tors. theta energy: -17.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -422.567546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.567546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.567546 (E_RNA) where: Base-Base interactions energy: -210.500 where: short stacking energy: -121.133 Base-Backbone interact. energy: 0.425 local terms energy: -212.492387 where: bonds (distance) C4'-P energy: -59.565 bonds (distance) P-C4' energy: -57.039 flat angles C4'-P-C4' energy: -46.778 flat angles P-C4'-P energy: -42.685 tors. eta vs tors. theta energy: -6.426 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: 9, replica: 3 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -298.267924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.267924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.267924 (E_RNA) where: Base-Base interactions energy: -123.640 where: short stacking energy: -77.622 Base-Backbone interact. energy: -2.413 local terms energy: -172.215721 where: bonds (distance) C4'-P energy: -56.107 bonds (distance) P-C4' energy: -49.381 flat angles C4'-P-C4' energy: -39.260 flat angles P-C4'-P energy: -29.386 tors. eta vs tors. theta energy: 1.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -330.010959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.010959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.010959 (E_RNA) where: Base-Base interactions energy: -164.298 where: short stacking energy: -101.206 Base-Backbone interact. energy: 3.009 local terms energy: -168.722009 where: bonds (distance) C4'-P energy: -51.353 bonds (distance) P-C4' energy: -41.605 flat angles C4'-P-C4' energy: -48.108 flat angles P-C4'-P energy: -24.567 tors. eta vs tors. theta energy: -3.090 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: 1, replica: 5 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -940.879792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.879792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.879792 (E_RNA) where: Base-Base interactions energy: -620.598 where: short stacking energy: -278.231 Base-Backbone interact. energy: 0.870 local terms energy: -321.151888 where: bonds (distance) C4'-P energy: -61.745 bonds (distance) P-C4' energy: -63.954 flat angles C4'-P-C4' energy: -69.083 flat angles P-C4'-P energy: -44.326 tors. eta vs tors. theta energy: -82.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -918.556966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.556966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.556966 (E_RNA) where: Base-Base interactions energy: -588.523 where: short stacking energy: -275.162 Base-Backbone interact. energy: -0.248 local terms energy: -329.785882 where: bonds (distance) C4'-P energy: -68.936 bonds (distance) P-C4' energy: -63.955 flat angles C4'-P-C4' energy: -77.753 flat angles P-C4'-P energy: -41.831 tors. eta vs tors. theta energy: -77.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -773.199639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.199639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.199639 (E_RNA) where: Base-Base interactions energy: -483.683 where: short stacking energy: -243.097 Base-Backbone interact. energy: -2.195 local terms energy: -287.321794 where: bonds (distance) C4'-P energy: -57.914 bonds (distance) P-C4' energy: -67.899 flat angles C4'-P-C4' energy: -65.414 flat angles P-C4'-P energy: -44.659 tors. eta vs tors. theta energy: -51.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -713.176001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.176001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.176001 (E_RNA) where: Base-Base interactions energy: -435.554 where: short stacking energy: -217.266 Base-Backbone interact. energy: -1.355 local terms energy: -276.267274 where: bonds (distance) C4'-P energy: -60.207 bonds (distance) P-C4' energy: -60.889 flat angles C4'-P-C4' energy: -66.769 flat angles P-C4'-P energy: -37.164 tors. eta vs tors. theta energy: -51.238 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: 5, replica: 9 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -720.625510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.625510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.625510 (E_RNA) where: Base-Base interactions energy: -464.461 where: short stacking energy: -190.130 Base-Backbone interact. energy: 2.778 local terms energy: -258.942557 where: bonds (distance) C4'-P energy: -54.130 bonds (distance) P-C4' energy: -61.456 flat angles C4'-P-C4' energy: -54.717 flat angles P-C4'-P energy: -41.593 tors. eta vs tors. theta energy: -47.046 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: 6, replica: 4 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -552.110364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.110364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.110364 (E_RNA) where: Base-Base interactions energy: -312.611 where: short stacking energy: -148.253 Base-Backbone interact. energy: -1.067 local terms energy: -238.432197 where: bonds (distance) C4'-P energy: -56.435 bonds (distance) P-C4' energy: -68.208 flat angles C4'-P-C4' energy: -41.610 flat angles P-C4'-P energy: -31.834 tors. eta vs tors. theta energy: -40.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -494.543178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.543178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.543178 (E_RNA) where: Base-Base interactions energy: -285.186 where: short stacking energy: -149.228 Base-Backbone interact. energy: -1.882 local terms energy: -207.475025 where: bonds (distance) C4'-P energy: -53.919 bonds (distance) P-C4' energy: -52.770 flat angles C4'-P-C4' energy: -58.396 flat angles P-C4'-P energy: -18.773 tors. eta vs tors. theta energy: -23.617 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: 8 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -474.054695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.054695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.054695 (E_RNA) where: Base-Base interactions energy: -249.048 where: short stacking energy: -131.009 Base-Backbone interact. energy: 2.253 local terms energy: -227.259051 where: bonds (distance) C4'-P energy: -52.262 bonds (distance) P-C4' energy: -57.546 flat angles C4'-P-C4' energy: -56.931 flat angles P-C4'-P energy: -39.045 tors. eta vs tors. theta energy: -21.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -337.368038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.368038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.368038 (E_RNA) where: Base-Base interactions energy: -141.441 where: short stacking energy: -93.391 Base-Backbone interact. energy: -0.999 local terms energy: -194.927342 where: bonds (distance) C4'-P energy: -49.255 bonds (distance) P-C4' energy: -58.952 flat angles C4'-P-C4' energy: -55.504 flat angles P-C4'-P energy: -30.112 tors. eta vs tors. theta energy: -1.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -424.432079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.432079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.432079 (E_RNA) where: Base-Base interactions energy: -207.552 where: short stacking energy: -103.353 Base-Backbone interact. energy: -3.493 local terms energy: -213.386284 where: bonds (distance) C4'-P energy: -43.555 bonds (distance) P-C4' energy: -61.630 flat angles C4'-P-C4' energy: -55.439 flat angles P-C4'-P energy: -31.232 tors. eta vs tors. theta energy: -21.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -950.879627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.879627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.879627 (E_RNA) where: Base-Base interactions energy: -625.533 where: short stacking energy: -266.018 Base-Backbone interact. energy: -1.471 local terms energy: -323.875841 where: bonds (distance) C4'-P energy: -70.673 bonds (distance) P-C4' energy: -65.597 flat angles C4'-P-C4' energy: -69.478 flat angles P-C4'-P energy: -47.006 tors. eta vs tors. theta energy: -71.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -949.201181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.201181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.201181 (E_RNA) where: Base-Base interactions energy: -609.181 where: short stacking energy: -280.379 Base-Backbone interact. energy: -1.606 local terms energy: -338.414030 where: bonds (distance) C4'-P energy: -72.701 bonds (distance) P-C4' energy: -69.001 flat angles C4'-P-C4' energy: -64.376 flat angles P-C4'-P energy: -41.098 tors. eta vs tors. theta energy: -91.237 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: 3, replica: 7 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -799.825227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.825227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.825227 (E_RNA) where: Base-Base interactions energy: -511.958 where: short stacking energy: -212.468 Base-Backbone interact. energy: -1.383 local terms energy: -286.484136 where: bonds (distance) C4'-P energy: -58.471 bonds (distance) P-C4' energy: -68.788 flat angles C4'-P-C4' energy: -63.214 flat angles P-C4'-P energy: -47.118 tors. eta vs tors. theta energy: -48.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -796.173122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.173122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.173122 (E_RNA) where: Base-Base interactions energy: -507.221 where: short stacking energy: -227.236 Base-Backbone interact. energy: -1.592 local terms energy: -287.360477 where: bonds (distance) C4'-P energy: -60.853 bonds (distance) P-C4' energy: -56.713 flat angles C4'-P-C4' energy: -65.787 flat angles P-C4'-P energy: -39.295 tors. eta vs tors. theta energy: -64.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -684.508487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.508487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.508487 (E_RNA) where: Base-Base interactions energy: -422.614 where: short stacking energy: -201.215 Base-Backbone interact. energy: -0.586 local terms energy: -261.308774 where: bonds (distance) C4'-P energy: -58.765 bonds (distance) P-C4' energy: -62.043 flat angles C4'-P-C4' energy: -62.280 flat angles P-C4'-P energy: -30.992 tors. eta vs tors. theta energy: -47.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -573.028140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.028140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.028140 (E_RNA) where: Base-Base interactions energy: -345.741 where: short stacking energy: -174.549 Base-Backbone interact. energy: 1.457 local terms energy: -228.743974 where: bonds (distance) C4'-P energy: -53.993 bonds (distance) P-C4' energy: -57.738 flat angles C4'-P-C4' energy: -56.588 flat angles P-C4'-P energy: -37.727 tors. eta vs tors. theta energy: -22.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -581.680403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.680403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.680403 (E_RNA) where: Base-Base interactions energy: -356.415 where: short stacking energy: -169.451 Base-Backbone interact. energy: 3.905 local terms energy: -229.170467 where: bonds (distance) C4'-P energy: -51.020 bonds (distance) P-C4' energy: -59.140 flat angles C4'-P-C4' energy: -49.774 flat angles P-C4'-P energy: -32.523 tors. eta vs tors. theta energy: -36.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -480.664196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.664196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.664196 (E_RNA) where: Base-Base interactions energy: -244.311 where: short stacking energy: -136.299 Base-Backbone interact. energy: 0.837 local terms energy: -237.190066 where: bonds (distance) C4'-P energy: -68.889 bonds (distance) P-C4' energy: -60.907 flat angles C4'-P-C4' energy: -51.620 flat angles P-C4'-P energy: -31.676 tors. eta vs tors. theta energy: -24.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -361.504497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.504497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.504497 (E_RNA) where: Base-Base interactions energy: -155.555 where: short stacking energy: -110.159 Base-Backbone interact. energy: -1.243 local terms energy: -204.706843 where: bonds (distance) C4'-P energy: -57.966 bonds (distance) P-C4' energy: -58.426 flat angles C4'-P-C4' energy: -55.276 flat angles P-C4'-P energy: -18.329 tors. eta vs tors. theta energy: -14.710 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: 3 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -396.673626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.673626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.673626 (E_RNA) where: Base-Base interactions energy: -217.373 where: short stacking energy: -130.314 Base-Backbone interact. energy: 2.900 local terms energy: -182.200879 where: bonds (distance) C4'-P energy: -47.009 bonds (distance) P-C4' energy: -53.761 flat angles C4'-P-C4' energy: -47.576 flat angles P-C4'-P energy: -29.255 tors. eta vs tors. theta energy: -4.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -934.841362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.841362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.841362 (E_RNA) where: Base-Base interactions energy: -615.613 where: short stacking energy: -254.175 Base-Backbone interact. energy: -1.448 local terms energy: -317.780958 where: bonds (distance) C4'-P energy: -67.892 bonds (distance) P-C4' energy: -72.621 flat angles C4'-P-C4' energy: -69.463 flat angles P-C4'-P energy: -43.184 tors. eta vs tors. theta energy: -64.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -904.017401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.017401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.017401 (E_RNA) where: Base-Base interactions energy: -589.106 where: short stacking energy: -288.942 Base-Backbone interact. energy: 0.672 local terms energy: -315.584323 where: bonds (distance) C4'-P energy: -55.866 bonds (distance) P-C4' energy: -68.168 flat angles C4'-P-C4' energy: -65.430 flat angles P-C4'-P energy: -43.485 tors. eta vs tors. theta energy: -82.635 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: 7 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -801.692318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.692318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.692318 (E_RNA) where: Base-Base interactions energy: -516.925 where: short stacking energy: -231.490 Base-Backbone interact. energy: -2.280 local terms energy: -282.487953 where: bonds (distance) C4'-P energy: -60.912 bonds (distance) P-C4' energy: -57.352 flat angles C4'-P-C4' energy: -65.286 flat angles P-C4'-P energy: -45.429 tors. eta vs tors. theta energy: -53.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -785.747967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.747967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.747967 (E_RNA) where: Base-Base interactions energy: -497.681 where: short stacking energy: -240.826 Base-Backbone interact. energy: -2.651 local terms energy: -285.415337 where: bonds (distance) C4'-P energy: -59.029 bonds (distance) P-C4' energy: -63.844 flat angles C4'-P-C4' energy: -65.037 flat angles P-C4'-P energy: -41.968 tors. eta vs tors. theta energy: -55.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -660.752640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.752640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.752640 (E_RNA) where: Base-Base interactions energy: -402.777 where: short stacking energy: -214.003 Base-Backbone interact. energy: 4.572 local terms energy: -262.547567 where: bonds (distance) C4'-P energy: -63.109 bonds (distance) P-C4' energy: -55.465 flat angles C4'-P-C4' energy: -54.812 flat angles P-C4'-P energy: -36.441 tors. eta vs tors. theta energy: -52.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -554.911448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.911448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.911448 (E_RNA) where: Base-Base interactions energy: -334.838 where: short stacking energy: -151.932 Base-Backbone interact. energy: 4.914 local terms energy: -224.987027 where: bonds (distance) C4'-P energy: -48.394 bonds (distance) P-C4' energy: -57.106 flat angles C4'-P-C4' energy: -65.734 flat angles P-C4'-P energy: -34.323 tors. eta vs tors. theta energy: -19.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -542.202880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.202880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.202880 (E_RNA) where: Base-Base interactions energy: -337.584 where: short stacking energy: -140.326 Base-Backbone interact. energy: -0.979 local terms energy: -203.640073 where: bonds (distance) C4'-P energy: -51.613 bonds (distance) P-C4' energy: -47.711 flat angles C4'-P-C4' energy: -57.785 flat angles P-C4'-P energy: -24.841 tors. eta vs tors. theta energy: -21.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -537.264090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.264090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.264090 (E_RNA) where: Base-Base interactions energy: -302.315 where: short stacking energy: -180.314 Base-Backbone interact. energy: -1.403 local terms energy: -233.545639 where: bonds (distance) C4'-P energy: -52.926 bonds (distance) P-C4' energy: -54.678 flat angles C4'-P-C4' energy: -57.809 flat angles P-C4'-P energy: -42.162 tors. eta vs tors. theta energy: -25.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -446.391655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.391655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.391655 (E_RNA) where: Base-Base interactions energy: -241.440 where: short stacking energy: -118.726 Base-Backbone interact. energy: -1.025 local terms energy: -203.926441 where: bonds (distance) C4'-P energy: -46.773 bonds (distance) P-C4' energy: -57.964 flat angles C4'-P-C4' energy: -50.390 flat angles P-C4'-P energy: -35.256 tors. eta vs tors. theta energy: -13.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -346.508270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.508270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.508270 (E_RNA) where: Base-Base interactions energy: -155.903 where: short stacking energy: -92.094 Base-Backbone interact. energy: -0.698 local terms energy: -189.907626 where: bonds (distance) C4'-P energy: -56.315 bonds (distance) P-C4' energy: -67.017 flat angles C4'-P-C4' energy: -40.565 flat angles P-C4'-P energy: -22.299 tors. eta vs tors. theta energy: -3.712 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: 5 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -944.557887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.557887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.557887 (E_RNA) where: Base-Base interactions energy: -626.656 where: short stacking energy: -282.595 Base-Backbone interact. energy: -0.090 local terms energy: -317.811583 where: bonds (distance) C4'-P energy: -62.411 bonds (distance) P-C4' energy: -66.307 flat angles C4'-P-C4' energy: -67.206 flat angles P-C4'-P energy: -47.774 tors. eta vs tors. theta energy: -74.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -940.285973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.285973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.285973 (E_RNA) where: Base-Base interactions energy: -632.491 where: short stacking energy: -297.078 Base-Backbone interact. energy: -1.789 local terms energy: -306.005799 where: bonds (distance) C4'-P energy: -60.189 bonds (distance) P-C4' energy: -56.069 flat angles C4'-P-C4' energy: -69.006 flat angles P-C4'-P energy: -38.700 tors. eta vs tors. theta energy: -82.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -812.976295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.976295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.976295 (E_RNA) where: Base-Base interactions energy: -532.019 where: short stacking energy: -227.341 Base-Backbone interact. energy: 0.587 local terms energy: -281.544351 where: bonds (distance) C4'-P energy: -57.644 bonds (distance) P-C4' energy: -63.153 flat angles C4'-P-C4' energy: -69.339 flat angles P-C4'-P energy: -41.968 tors. eta vs tors. theta energy: -49.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -771.903263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.903263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.903263 (E_RNA) where: Base-Base interactions energy: -487.390 where: short stacking energy: -234.763 Base-Backbone interact. energy: 2.915 local terms energy: -287.428164 where: bonds (distance) C4'-P energy: -67.867 bonds (distance) P-C4' energy: -66.785 flat angles C4'-P-C4' energy: -60.902 flat angles P-C4'-P energy: -43.368 tors. eta vs tors. theta energy: -48.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -673.187956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.187956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.187956 (E_RNA) where: Base-Base interactions energy: -414.789 where: short stacking energy: -188.382 Base-Backbone interact. energy: -0.637 local terms energy: -257.761714 where: bonds (distance) C4'-P energy: -63.492 bonds (distance) P-C4' energy: -56.439 flat angles C4'-P-C4' energy: -58.079 flat angles P-C4'-P energy: -34.388 tors. eta vs tors. theta energy: -45.363 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: 6 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -596.113616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.113616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.113616 (E_RNA) where: Base-Base interactions energy: -381.113 where: short stacking energy: -172.308 Base-Backbone interact. energy: -1.494 local terms energy: -213.507289 where: bonds (distance) C4'-P energy: -48.253 bonds (distance) P-C4' energy: -54.181 flat angles C4'-P-C4' energy: -51.475 flat angles P-C4'-P energy: -27.794 tors. eta vs tors. theta energy: -31.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -491.402737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.402737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.402737 (E_RNA) where: Base-Base interactions energy: -259.706 where: short stacking energy: -139.681 Base-Backbone interact. energy: -1.589 local terms energy: -230.108076 where: bonds (distance) C4'-P energy: -50.783 bonds (distance) P-C4' energy: -64.629 flat angles C4'-P-C4' energy: -60.101 flat angles P-C4'-P energy: -38.110 tors. eta vs tors. theta energy: -16.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -551.651685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.651685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.651685 (E_RNA) where: Base-Base interactions energy: -305.710 where: short stacking energy: -153.816 Base-Backbone interact. energy: -1.328 local terms energy: -244.614082 where: bonds (distance) C4'-P energy: -59.967 bonds (distance) P-C4' energy: -62.221 flat angles C4'-P-C4' energy: -46.476 flat angles P-C4'-P energy: -38.979 tors. eta vs tors. theta energy: -36.972 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: 3 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -475.022909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.022909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.022909 (E_RNA) where: Base-Base interactions energy: -259.939 where: short stacking energy: -129.096 Base-Backbone interact. energy: 3.414 local terms energy: -218.497350 where: bonds (distance) C4'-P energy: -55.185 bonds (distance) P-C4' energy: -57.235 flat angles C4'-P-C4' energy: -60.593 flat angles P-C4'-P energy: -28.832 tors. eta vs tors. theta energy: -16.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -352.475469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.475469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.475469 (E_RNA) where: Base-Base interactions energy: -161.576 where: short stacking energy: -101.164 Base-Backbone interact. energy: -0.463 local terms energy: -190.436382 where: bonds (distance) C4'-P energy: -52.640 bonds (distance) P-C4' energy: -55.115 flat angles C4'-P-C4' energy: -40.043 flat angles P-C4'-P energy: -37.839 tors. eta vs tors. theta energy: -4.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -974.916019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.916019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.916019 (E_RNA) where: Base-Base interactions energy: -658.499 where: short stacking energy: -292.251 Base-Backbone interact. energy: -0.238 local terms energy: -316.179466 where: bonds (distance) C4'-P energy: -63.945 bonds (distance) P-C4' energy: -69.344 flat angles C4'-P-C4' energy: -64.398 flat angles P-C4'-P energy: -42.670 tors. eta vs tors. theta energy: -75.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -936.601062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.601062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.601062 (E_RNA) where: Base-Base interactions energy: -623.828 where: short stacking energy: -278.522 Base-Backbone interact. energy: 1.490 local terms energy: -314.263438 where: bonds (distance) C4'-P energy: -57.164 bonds (distance) P-C4' energy: -66.575 flat angles C4'-P-C4' energy: -66.306 flat angles P-C4'-P energy: -44.186 tors. eta vs tors. theta energy: -80.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -784.069257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.069257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.069257 (E_RNA) where: Base-Base interactions energy: -525.578 where: short stacking energy: -220.159 Base-Backbone interact. energy: -0.946 local terms energy: -257.545624 where: bonds (distance) C4'-P energy: -55.200 bonds (distance) P-C4' energy: -50.908 flat angles C4'-P-C4' energy: -64.021 flat angles P-C4'-P energy: -24.257 tors. eta vs tors. theta energy: -63.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -751.651629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.651629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.651629 (E_RNA) where: Base-Base interactions energy: -490.583 where: short stacking energy: -207.981 Base-Backbone interact. energy: -1.482 local terms energy: -259.586754 where: bonds (distance) C4'-P energy: -49.637 bonds (distance) P-C4' energy: -45.634 flat angles C4'-P-C4' energy: -70.695 flat angles P-C4'-P energy: -43.585 tors. eta vs tors. theta energy: -50.036 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: 6 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -672.364495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.364495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.364495 (E_RNA) where: Base-Base interactions energy: -420.105 where: short stacking energy: -183.499 Base-Backbone interact. energy: -1.755 local terms energy: -250.504216 where: bonds (distance) C4'-P energy: -55.188 bonds (distance) P-C4' energy: -56.700 flat angles C4'-P-C4' energy: -65.393 flat angles P-C4'-P energy: -33.371 tors. eta vs tors. theta energy: -39.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -573.778347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.778347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.778347 (E_RNA) where: Base-Base interactions energy: -330.888 where: short stacking energy: -166.577 Base-Backbone interact. energy: -1.645 local terms energy: -241.245229 where: bonds (distance) C4'-P energy: -49.576 bonds (distance) P-C4' energy: -59.509 flat angles C4'-P-C4' energy: -63.752 flat angles P-C4'-P energy: -38.475 tors. eta vs tors. theta energy: -29.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -553.145247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.145247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.145247 (E_RNA) where: Base-Base interactions energy: -318.713 where: short stacking energy: -151.964 Base-Backbone interact. energy: -1.909 local terms energy: -232.523716 where: bonds (distance) C4'-P energy: -60.365 bonds (distance) P-C4' energy: -61.832 flat angles C4'-P-C4' energy: -48.201 flat angles P-C4'-P energy: -33.616 tors. eta vs tors. theta energy: -28.510 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: 8, replica: 4 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -412.925534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.925534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.925534 (E_RNA) where: Base-Base interactions energy: -206.277 where: short stacking energy: -115.904 Base-Backbone interact. energy: -2.059 local terms energy: -204.589430 where: bonds (distance) C4'-P energy: -52.623 bonds (distance) P-C4' energy: -50.282 flat angles C4'-P-C4' energy: -56.480 flat angles P-C4'-P energy: -31.541 tors. eta vs tors. theta energy: -13.664 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: 3 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -463.908043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.908043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.908043 (E_RNA) where: Base-Base interactions energy: -252.180 where: short stacking energy: -129.988 Base-Backbone interact. energy: 0.988 local terms energy: -212.716018 where: bonds (distance) C4'-P energy: -53.069 bonds (distance) P-C4' energy: -51.132 flat angles C4'-P-C4' energy: -54.685 flat angles P-C4'-P energy: -44.632 tors. eta vs tors. theta energy: -9.198 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: 10 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -355.115232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.115232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.115232 (E_RNA) where: Base-Base interactions energy: -144.384 where: short stacking energy: -86.306 Base-Backbone interact. energy: -2.066 local terms energy: -208.665648 where: bonds (distance) C4'-P energy: -64.858 bonds (distance) P-C4' energy: -59.283 flat angles C4'-P-C4' energy: -49.910 flat angles P-C4'-P energy: -30.536 tors. eta vs tors. theta energy: -4.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -979.688102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.688102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.688102 (E_RNA) where: Base-Base interactions energy: -647.699 where: short stacking energy: -300.660 Base-Backbone interact. energy: -1.576 local terms energy: -330.412716 where: bonds (distance) C4'-P energy: -66.363 bonds (distance) P-C4' energy: -63.117 flat angles C4'-P-C4' energy: -73.358 flat angles P-C4'-P energy: -47.076 tors. eta vs tors. theta energy: -80.499 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: 5 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -932.923174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.923174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.923174 (E_RNA) where: Base-Base interactions energy: -633.148 where: short stacking energy: -276.777 Base-Backbone interact. energy: -2.443 local terms energy: -297.331793 where: bonds (distance) C4'-P energy: -57.786 bonds (distance) P-C4' energy: -58.176 flat angles C4'-P-C4' energy: -71.749 flat angles P-C4'-P energy: -48.940 tors. eta vs tors. theta energy: -60.680 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: 7 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -816.160919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.160919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.160919 (E_RNA) where: Base-Base interactions energy: -543.000 where: short stacking energy: -242.678 Base-Backbone interact. energy: -2.982 local terms energy: -270.178986 where: bonds (distance) C4'-P energy: -63.348 bonds (distance) P-C4' energy: -53.119 flat angles C4'-P-C4' energy: -63.469 flat angles P-C4'-P energy: -38.093 tors. eta vs tors. theta energy: -52.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -759.651695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.651695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.651695 (E_RNA) where: Base-Base interactions energy: -497.124 where: short stacking energy: -222.613 Base-Backbone interact. energy: -1.467 local terms energy: -261.060367 where: bonds (distance) C4'-P energy: -62.560 bonds (distance) P-C4' energy: -64.830 flat angles C4'-P-C4' energy: -52.767 flat angles P-C4'-P energy: -36.341 tors. eta vs tors. theta energy: -44.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -681.797114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.797114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.797114 (E_RNA) where: Base-Base interactions energy: -429.903 where: short stacking energy: -198.220 Base-Backbone interact. energy: -1.423 local terms energy: -250.471450 where: bonds (distance) C4'-P energy: -51.537 bonds (distance) P-C4' energy: -54.836 flat angles C4'-P-C4' energy: -55.932 flat angles P-C4'-P energy: -33.478 tors. eta vs tors. theta energy: -54.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -567.055219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.055219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.055219 (E_RNA) where: Base-Base interactions energy: -353.300 where: short stacking energy: -186.880 Base-Backbone interact. energy: -0.038 local terms energy: -213.716901 where: bonds (distance) C4'-P energy: -42.074 bonds (distance) P-C4' energy: -51.091 flat angles C4'-P-C4' energy: -45.137 flat angles P-C4'-P energy: -38.885 tors. eta vs tors. theta energy: -36.530 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: 1 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -499.525055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.525055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.525055 (E_RNA) where: Base-Base interactions energy: -276.643 where: short stacking energy: -142.453 Base-Backbone interact. energy: 0.582 local terms energy: -223.464166 where: bonds (distance) C4'-P energy: -59.138 bonds (distance) P-C4' energy: -52.067 flat angles C4'-P-C4' energy: -59.850 flat angles P-C4'-P energy: -30.539 tors. eta vs tors. theta energy: -21.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -465.772027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.772027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.772027 (E_RNA) where: Base-Base interactions energy: -266.078 where: short stacking energy: -134.620 Base-Backbone interact. energy: -0.862 local terms energy: -198.832195 where: bonds (distance) C4'-P energy: -57.990 bonds (distance) P-C4' energy: -49.487 flat angles C4'-P-C4' energy: -52.597 flat angles P-C4'-P energy: -25.450 tors. eta vs tors. theta energy: -13.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -421.462351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.462351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.462351 (E_RNA) where: Base-Base interactions energy: -212.617 where: short stacking energy: -119.490 Base-Backbone interact. energy: -2.083 local terms energy: -206.762637 where: bonds (distance) C4'-P energy: -54.438 bonds (distance) P-C4' energy: -62.089 flat angles C4'-P-C4' energy: -47.803 flat angles P-C4'-P energy: -33.246 tors. eta vs tors. theta energy: -9.187 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: 10 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -323.656763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.656763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.656763 (E_RNA) where: Base-Base interactions energy: -156.077 where: short stacking energy: -100.336 Base-Backbone interact. energy: 1.099 local terms energy: -168.677975 where: bonds (distance) C4'-P energy: -44.497 bonds (distance) P-C4' energy: -59.354 flat angles C4'-P-C4' energy: -48.249 flat angles P-C4'-P energy: -22.774 tors. eta vs tors. theta energy: 6.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -977.111435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.111435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.111435 (E_RNA) where: Base-Base interactions energy: -651.455 where: short stacking energy: -312.188 Base-Backbone interact. energy: 0.789 local terms energy: -326.445661 where: bonds (distance) C4'-P energy: -58.158 bonds (distance) P-C4' energy: -59.847 flat angles C4'-P-C4' energy: -78.466 flat angles P-C4'-P energy: -46.357 tors. eta vs tors. theta energy: -83.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -935.542019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.542019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.542019 (E_RNA) where: Base-Base interactions energy: -653.445 where: short stacking energy: -286.748 Base-Backbone interact. energy: -0.155 local terms energy: -281.941918 where: bonds (distance) C4'-P energy: -54.774 bonds (distance) P-C4' energy: -54.302 flat angles C4'-P-C4' energy: -63.498 flat angles P-C4'-P energy: -38.032 tors. eta vs tors. theta energy: -71.337 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: 7 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -814.956417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.956417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.956417 (E_RNA) where: Base-Base interactions energy: -526.997 where: short stacking energy: -222.352 Base-Backbone interact. energy: -1.894 local terms energy: -286.065178 where: bonds (distance) C4'-P energy: -66.589 bonds (distance) P-C4' energy: -70.557 flat angles C4'-P-C4' energy: -61.547 flat angles P-C4'-P energy: -30.210 tors. eta vs tors. theta energy: -57.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -763.143032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.143032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.143032 (E_RNA) where: Base-Base interactions energy: -489.066 where: short stacking energy: -213.400 Base-Backbone interact. energy: -2.116 local terms energy: -271.960463 where: bonds (distance) C4'-P energy: -46.889 bonds (distance) P-C4' energy: -53.758 flat angles C4'-P-C4' energy: -68.831 flat angles P-C4'-P energy: -46.345 tors. eta vs tors. theta energy: -56.138 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: 6 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -702.780902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.780902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.780902 (E_RNA) where: Base-Base interactions energy: -437.514 where: short stacking energy: -217.283 Base-Backbone interact. energy: 0.255 local terms energy: -265.522131 where: bonds (distance) C4'-P energy: -52.577 bonds (distance) P-C4' energy: -46.088 flat angles C4'-P-C4' energy: -73.833 flat angles P-C4'-P energy: -42.813 tors. eta vs tors. theta energy: -50.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -653.159603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.159603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.159603 (E_RNA) where: Base-Base interactions energy: -397.690 where: short stacking energy: -196.576 Base-Backbone interact. energy: 0.179 local terms energy: -255.648072 where: bonds (distance) C4'-P energy: -60.654 bonds (distance) P-C4' energy: -71.685 flat angles C4'-P-C4' energy: -56.938 flat angles P-C4'-P energy: -29.588 tors. eta vs tors. theta energy: -36.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -506.812659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.812659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.812659 (E_RNA) where: Base-Base interactions energy: -283.466 where: short stacking energy: -142.495 Base-Backbone interact. energy: 0.905 local terms energy: -224.251962 where: bonds (distance) C4'-P energy: -55.967 bonds (distance) P-C4' energy: -65.496 flat angles C4'-P-C4' energy: -56.742 flat angles P-C4'-P energy: -25.057 tors. eta vs tors. theta energy: -20.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -431.125882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.125882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.125882 (E_RNA) where: Base-Base interactions energy: -217.147 where: short stacking energy: -135.379 Base-Backbone interact. energy: -2.304 local terms energy: -211.674110 where: bonds (distance) C4'-P energy: -53.453 bonds (distance) P-C4' energy: -52.375 flat angles C4'-P-C4' energy: -51.568 flat angles P-C4'-P energy: -37.090 tors. eta vs tors. theta energy: -17.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -347.940552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.940552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.940552 (E_RNA) where: Base-Base interactions energy: -156.973 where: short stacking energy: -104.182 Base-Backbone interact. energy: -1.234 local terms energy: -189.733030 where: bonds (distance) C4'-P energy: -62.517 bonds (distance) P-C4' energy: -49.336 flat angles C4'-P-C4' energy: -41.298 flat angles P-C4'-P energy: -32.500 tors. eta vs tors. theta energy: -4.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -346.549965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.549965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.549965 (E_RNA) where: Base-Base interactions energy: -167.359 where: short stacking energy: -98.224 Base-Backbone interact. energy: 3.326 local terms energy: -182.516747 where: bonds (distance) C4'-P energy: -32.507 bonds (distance) P-C4' energy: -64.975 flat angles C4'-P-C4' energy: -49.076 flat angles P-C4'-P energy: -32.985 tors. eta vs tors. theta energy: -2.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -985.434569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.434569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.434569 (E_RNA) where: Base-Base interactions energy: -647.596 where: short stacking energy: -297.708 Base-Backbone interact. energy: 0.264 local terms energy: -338.102824 where: bonds (distance) C4'-P energy: -72.106 bonds (distance) P-C4' energy: -61.752 flat angles C4'-P-C4' energy: -77.634 flat angles P-C4'-P energy: -50.197 tors. eta vs tors. theta energy: -76.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -912.827927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.827927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.827927 (E_RNA) where: Base-Base interactions energy: -615.283 where: short stacking energy: -251.104 Base-Backbone interact. energy: 3.860 local terms energy: -301.405405 where: bonds (distance) C4'-P energy: -53.582 bonds (distance) P-C4' energy: -60.017 flat angles C4'-P-C4' energy: -66.982 flat angles P-C4'-P energy: -55.626 tors. eta vs tors. theta energy: -65.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -788.879349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.879349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.879349 (E_RNA) where: Base-Base interactions energy: -493.345 where: short stacking energy: -238.394 Base-Backbone interact. energy: -2.101 local terms energy: -293.433527 where: bonds (distance) C4'-P energy: -68.093 bonds (distance) P-C4' energy: -59.641 flat angles C4'-P-C4' energy: -61.656 flat angles P-C4'-P energy: -44.619 tors. eta vs tors. theta energy: -59.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -834.023599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.023599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.023599 (E_RNA) where: Base-Base interactions energy: -563.687 where: short stacking energy: -247.983 Base-Backbone interact. energy: -0.877 local terms energy: -269.459519 where: bonds (distance) C4'-P energy: -61.181 bonds (distance) P-C4' energy: -52.857 flat angles C4'-P-C4' energy: -52.218 flat angles P-C4'-P energy: -39.637 tors. eta vs tors. theta energy: -63.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -737.876088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.876088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.876088 (E_RNA) where: Base-Base interactions energy: -467.845 where: short stacking energy: -200.749 Base-Backbone interact. energy: -0.418 local terms energy: -269.612458 where: bonds (distance) C4'-P energy: -58.089 bonds (distance) P-C4' energy: -60.297 flat angles C4'-P-C4' energy: -58.434 flat angles P-C4'-P energy: -36.522 tors. eta vs tors. theta energy: -56.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -631.429867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.429867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.429867 (E_RNA) where: Base-Base interactions energy: -377.134 where: short stacking energy: -189.961 Base-Backbone interact. energy: -1.711 local terms energy: -252.585287 where: bonds (distance) C4'-P energy: -50.168 bonds (distance) P-C4' energy: -59.404 flat angles C4'-P-C4' energy: -65.092 flat angles P-C4'-P energy: -33.497 tors. eta vs tors. theta energy: -44.425 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: 3 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -526.028205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.028205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.028205 (E_RNA) where: Base-Base interactions energy: -314.153 where: short stacking energy: -160.672 Base-Backbone interact. energy: -1.318 local terms energy: -210.557239 where: bonds (distance) C4'-P energy: -48.080 bonds (distance) P-C4' energy: -43.281 flat angles C4'-P-C4' energy: -62.890 flat angles P-C4'-P energy: -30.987 tors. eta vs tors. theta energy: -25.320 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: 21 Temperature: 1.250000 Total energy: -433.613608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.613608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.613608 (E_RNA) where: Base-Base interactions energy: -230.277 where: short stacking energy: -124.346 Base-Backbone interact. energy: -0.332 local terms energy: -203.004595 where: bonds (distance) C4'-P energy: -52.288 bonds (distance) P-C4' energy: -52.505 flat angles C4'-P-C4' energy: -51.940 flat angles P-C4'-P energy: -32.904 tors. eta vs tors. theta energy: -13.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -343.241610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.241610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.241610 (E_RNA) where: Base-Base interactions energy: -156.748 where: short stacking energy: -107.252 Base-Backbone interact. energy: 0.424 local terms energy: -186.918531 where: bonds (distance) C4'-P energy: -38.407 bonds (distance) P-C4' energy: -58.726 flat angles C4'-P-C4' energy: -57.144 flat angles P-C4'-P energy: -29.181 tors. eta vs tors. theta energy: -3.460 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: 4 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -302.672599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.672599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.672599 (E_RNA) where: Base-Base interactions energy: -113.326 where: short stacking energy: -80.161 Base-Backbone interact. energy: 5.020 local terms energy: -194.366264 where: bonds (distance) C4'-P energy: -63.775 bonds (distance) P-C4' energy: -59.097 flat angles C4'-P-C4' energy: -45.047 flat angles P-C4'-P energy: -39.675 tors. eta vs tors. theta energy: 13.228 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: 2 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -996.034387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.034387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.034387 (E_RNA) where: Base-Base interactions energy: -669.298 where: short stacking energy: -314.857 Base-Backbone interact. energy: 0.686 local terms energy: -327.422514 where: bonds (distance) C4'-P energy: -67.184 bonds (distance) P-C4' energy: -64.541 flat angles C4'-P-C4' energy: -62.356 flat angles P-C4'-P energy: -47.659 tors. eta vs tors. theta energy: -85.683 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: 5 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -930.897688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.897688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.897688 (E_RNA) where: Base-Base interactions energy: -619.933 where: short stacking energy: -265.706 Base-Backbone interact. energy: -1.912 local terms energy: -309.051959 where: bonds (distance) C4'-P energy: -60.347 bonds (distance) P-C4' energy: -70.317 flat angles C4'-P-C4' energy: -65.464 flat angles P-C4'-P energy: -45.330 tors. eta vs tors. theta energy: -67.594 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: 9 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -863.560655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.560655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.560655 (E_RNA) where: Base-Base interactions energy: -560.516 where: short stacking energy: -263.883 Base-Backbone interact. energy: 2.924 local terms energy: -305.968361 where: bonds (distance) C4'-P energy: -62.957 bonds (distance) P-C4' energy: -62.970 flat angles C4'-P-C4' energy: -68.344 flat angles P-C4'-P energy: -44.175 tors. eta vs tors. theta energy: -67.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -786.154367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.154367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.154367 (E_RNA) where: Base-Base interactions energy: -517.921 where: short stacking energy: -222.202 Base-Backbone interact. energy: -1.834 local terms energy: -266.399057 where: bonds (distance) C4'-P energy: -59.843 bonds (distance) P-C4' energy: -63.295 flat angles C4'-P-C4' energy: -61.506 flat angles P-C4'-P energy: -29.719 tors. eta vs tors. theta energy: -52.036 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: 6 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -731.005277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.005277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.005277 (E_RNA) where: Base-Base interactions energy: -463.423 where: short stacking energy: -218.466 Base-Backbone interact. energy: -0.888 local terms energy: -266.694338 where: bonds (distance) C4'-P energy: -61.822 bonds (distance) P-C4' energy: -53.758 flat angles C4'-P-C4' energy: -65.495 flat angles P-C4'-P energy: -32.288 tors. eta vs tors. theta energy: -53.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -684.277779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.277779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.277779 (E_RNA) where: Base-Base interactions energy: -432.903 where: short stacking energy: -210.728 Base-Backbone interact. energy: 0.721 local terms energy: -252.096366 where: bonds (distance) C4'-P energy: -63.866 bonds (distance) P-C4' energy: -58.958 flat angles C4'-P-C4' energy: -58.065 flat angles P-C4'-P energy: -32.812 tors. eta vs tors. theta energy: -38.395 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: 3 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -545.863889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.863889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.863889 (E_RNA) where: Base-Base interactions energy: -319.012 where: short stacking energy: -166.508 Base-Backbone interact. energy: -1.435 local terms energy: -225.416528 where: bonds (distance) C4'-P energy: -63.318 bonds (distance) P-C4' energy: -53.262 flat angles C4'-P-C4' energy: -50.582 flat angles P-C4'-P energy: -33.199 tors. eta vs tors. theta energy: -25.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -407.328229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.328229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.328229 (E_RNA) where: Base-Base interactions energy: -199.759 where: short stacking energy: -95.853 Base-Backbone interact. energy: -1.117 local terms energy: -206.452627 where: bonds (distance) C4'-P energy: -55.302 bonds (distance) P-C4' energy: -50.533 flat angles C4'-P-C4' energy: -56.217 flat angles P-C4'-P energy: -37.560 tors. eta vs tors. theta energy: -6.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -278.112144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.112144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.112144 (E_RNA) where: Base-Base interactions energy: -97.553 where: short stacking energy: -72.005 Base-Backbone interact. energy: 0.852 local terms energy: -181.411502 where: bonds (distance) C4'-P energy: -49.985 bonds (distance) P-C4' energy: -55.650 flat angles C4'-P-C4' energy: -46.459 flat angles P-C4'-P energy: -35.523 tors. eta vs tors. theta energy: 6.205 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: 10 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -265.461920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.461920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.461920 (E_RNA) where: Base-Base interactions energy: -103.525 where: short stacking energy: -80.183 Base-Backbone interact. energy: 0.909 local terms energy: -162.845929 where: bonds (distance) C4'-P energy: -49.076 bonds (distance) P-C4' energy: -53.560 flat angles C4'-P-C4' energy: -51.464 flat angles P-C4'-P energy: -20.531 tors. eta vs tors. theta energy: 11.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -995.377236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.377236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.377236 (E_RNA) where: Base-Base interactions energy: -660.150 where: short stacking energy: -318.623 Base-Backbone interact. energy: -1.365 local terms energy: -333.862007 where: bonds (distance) C4'-P energy: -64.741 bonds (distance) P-C4' energy: -61.838 flat angles C4'-P-C4' energy: -69.805 flat angles P-C4'-P energy: -50.441 tors. eta vs tors. theta energy: -87.037 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: 2, replica: 5 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -955.971018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.971018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.971018 (E_RNA) where: Base-Base interactions energy: -652.969 where: short stacking energy: -264.531 Base-Backbone interact. energy: 1.925 local terms energy: -304.926684 where: bonds (distance) C4'-P energy: -64.743 bonds (distance) P-C4' energy: -68.165 flat angles C4'-P-C4' energy: -65.154 flat angles P-C4'-P energy: -36.610 tors. eta vs tors. theta energy: -70.255 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: 9 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -855.364029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.364029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.364029 (E_RNA) where: Base-Base interactions energy: -570.781 where: short stacking energy: -257.432 Base-Backbone interact. energy: -0.624 local terms energy: -283.959000 where: bonds (distance) C4'-P energy: -59.937 bonds (distance) P-C4' energy: -65.041 flat angles C4'-P-C4' energy: -51.275 flat angles P-C4'-P energy: -43.831 tors. eta vs tors. theta energy: -63.875 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: 4, replica: 7 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -788.945466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.945466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.945466 (E_RNA) where: Base-Base interactions energy: -519.372 where: short stacking energy: -219.488 Base-Backbone interact. energy: -3.759 local terms energy: -265.814568 where: bonds (distance) C4'-P energy: -52.407 bonds (distance) P-C4' energy: -62.841 flat angles C4'-P-C4' energy: -57.028 flat angles P-C4'-P energy: -40.347 tors. eta vs tors. theta energy: -53.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -739.382359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.382359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.382359 (E_RNA) where: Base-Base interactions energy: -471.186 where: short stacking energy: -205.070 Base-Backbone interact. energy: 0.608 local terms energy: -268.804233 where: bonds (distance) C4'-P energy: -63.045 bonds (distance) P-C4' energy: -60.954 flat angles C4'-P-C4' energy: -62.236 flat angles P-C4'-P energy: -30.079 tors. eta vs tors. theta energy: -52.491 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: 8 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -687.256473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.256473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.256473 (E_RNA) where: Base-Base interactions energy: -419.002 where: short stacking energy: -209.743 Base-Backbone interact. energy: -2.854 local terms energy: -265.400528 where: bonds (distance) C4'-P energy: -56.514 bonds (distance) P-C4' energy: -61.246 flat angles C4'-P-C4' energy: -62.087 flat angles P-C4'-P energy: -37.848 tors. eta vs tors. theta energy: -47.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -573.353216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.353216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.353216 (E_RNA) where: Base-Base interactions energy: -333.037 where: short stacking energy: -145.375 Base-Backbone interact. energy: -0.728 local terms energy: -239.588656 where: bonds (distance) C4'-P energy: -52.388 bonds (distance) P-C4' energy: -53.973 flat angles C4'-P-C4' energy: -58.129 flat angles P-C4'-P energy: -49.219 tors. eta vs tors. theta energy: -25.880 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: 23 Temperature: 1.250000 Total energy: -411.691508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.691508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.691508 (E_RNA) where: Base-Base interactions energy: -215.824 where: short stacking energy: -131.656 Base-Backbone interact. energy: -1.416 local terms energy: -194.450714 where: bonds (distance) C4'-P energy: -52.747 bonds (distance) P-C4' energy: -53.436 flat angles C4'-P-C4' energy: -43.696 flat angles P-C4'-P energy: -24.402 tors. eta vs tors. theta energy: -20.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -301.140815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.140815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.140815 (E_RNA) where: Base-Base interactions energy: -91.840 where: short stacking energy: -85.938 Base-Backbone interact. energy: 2.392 local terms energy: -211.692769 where: bonds (distance) C4'-P energy: -62.336 bonds (distance) P-C4' energy: -61.043 flat angles C4'-P-C4' energy: -40.128 flat angles P-C4'-P energy: -29.365 tors. eta vs tors. theta energy: -18.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -287.461909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.461909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.461909 (E_RNA) where: Base-Base interactions energy: -95.118 where: short stacking energy: -84.184 Base-Backbone interact. energy: -1.763 local terms energy: -190.581392 where: bonds (distance) C4'-P energy: -48.595 bonds (distance) P-C4' energy: -55.518 flat angles C4'-P-C4' energy: -49.170 flat angles P-C4'-P energy: -30.078 tors. eta vs tors. theta energy: -7.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -1004.045418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.045418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.045418 (E_RNA) where: Base-Base interactions energy: -667.196 where: short stacking energy: -306.504 Base-Backbone interact. energy: -0.919 local terms energy: -335.930526 where: bonds (distance) C4'-P energy: -70.591 bonds (distance) P-C4' energy: -60.305 flat angles C4'-P-C4' energy: -76.621 flat angles P-C4'-P energy: -44.001 tors. eta vs tors. theta energy: -84.414 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: 2, replica: 5 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -954.040762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.040762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.040762 (E_RNA) where: Base-Base interactions energy: -649.052 where: short stacking energy: -281.086 Base-Backbone interact. energy: 1.944 local terms energy: -306.933425 where: bonds (distance) C4'-P energy: -54.912 bonds (distance) P-C4' energy: -65.639 flat angles C4'-P-C4' energy: -70.659 flat angles P-C4'-P energy: -43.099 tors. eta vs tors. theta energy: -72.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -854.549223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.549223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.549223 (E_RNA) where: Base-Base interactions energy: -549.793 where: short stacking energy: -235.810 Base-Backbone interact. energy: -2.147 local terms energy: -302.609395 where: bonds (distance) C4'-P energy: -57.127 bonds (distance) P-C4' energy: -63.223 flat angles C4'-P-C4' energy: -70.075 flat angles P-C4'-P energy: -44.353 tors. eta vs tors. theta energy: -67.832 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: 7 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -819.263594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.263594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.263594 (E_RNA) where: Base-Base interactions energy: -538.006 where: short stacking energy: -262.806 Base-Backbone interact. energy: -1.712 local terms energy: -279.545056 where: bonds (distance) C4'-P energy: -50.168 bonds (distance) P-C4' energy: -65.348 flat angles C4'-P-C4' energy: -68.088 flat angles P-C4'-P energy: -37.393 tors. eta vs tors. theta energy: -58.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -721.904487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.904487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.904487 (E_RNA) where: Base-Base interactions energy: -466.060 where: short stacking energy: -208.291 Base-Backbone interact. energy: -1.650 local terms energy: -254.194563 where: bonds (distance) C4'-P energy: -51.471 bonds (distance) P-C4' energy: -61.528 flat angles C4'-P-C4' energy: -60.681 flat angles P-C4'-P energy: -36.998 tors. eta vs tors. theta energy: -43.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -725.823447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.823447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.823447 (E_RNA) where: Base-Base interactions energy: -457.321 where: short stacking energy: -201.384 Base-Backbone interact. energy: 1.367 local terms energy: -269.869455 where: bonds (distance) C4'-P energy: -57.775 bonds (distance) P-C4' energy: -58.584 flat angles C4'-P-C4' energy: -58.942 flat angles P-C4'-P energy: -48.037 tors. eta vs tors. theta energy: -46.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -577.007799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.007799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.007799 (E_RNA) where: Base-Base interactions energy: -330.489 where: short stacking energy: -168.554 Base-Backbone interact. energy: -0.114 local terms energy: -246.404487 where: bonds (distance) C4'-P energy: -58.108 bonds (distance) P-C4' energy: -56.028 flat angles C4'-P-C4' energy: -53.475 flat angles P-C4'-P energy: -40.134 tors. eta vs tors. theta energy: -38.660 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: 24 Temperature: 1.250000 Total energy: -363.299990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.299990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.299990 (E_RNA) where: Base-Base interactions energy: -164.136 where: short stacking energy: -102.944 Base-Backbone interact. energy: -0.953 local terms energy: -198.210571 where: bonds (distance) C4'-P energy: -55.478 bonds (distance) P-C4' energy: -53.009 flat angles C4'-P-C4' energy: -53.766 flat angles P-C4'-P energy: -21.812 tors. eta vs tors. theta energy: -14.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -302.458155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.458155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.458155 (E_RNA) where: Base-Base interactions energy: -117.811 where: short stacking energy: -84.782 Base-Backbone interact. energy: 0.216 local terms energy: -184.863513 where: bonds (distance) C4'-P energy: -56.253 bonds (distance) P-C4' energy: -59.304 flat angles C4'-P-C4' energy: -50.061 flat angles P-C4'-P energy: -26.264 tors. eta vs tors. theta energy: 7.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -278.458651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.458651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.458651 (E_RNA) where: Base-Base interactions energy: -103.536 where: short stacking energy: -64.816 Base-Backbone interact. energy: -1.783 local terms energy: -173.139420 where: bonds (distance) C4'-P energy: -51.320 bonds (distance) P-C4' energy: -60.801 flat angles C4'-P-C4' energy: -36.072 flat angles P-C4'-P energy: -30.800 tors. eta vs tors. theta energy: 5.854 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: 1, replica: 2 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -996.742194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.742194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.742194 (E_RNA) where: Base-Base interactions energy: -668.204 where: short stacking energy: -318.127 Base-Backbone interact. energy: -0.965 local terms energy: -327.574046 where: bonds (distance) C4'-P energy: -66.347 bonds (distance) P-C4' energy: -58.925 flat angles C4'-P-C4' energy: -66.791 flat angles P-C4'-P energy: -49.404 tors. eta vs tors. theta energy: -86.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -926.647127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.647127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.647127 (E_RNA) where: Base-Base interactions energy: -624.992 where: short stacking energy: -266.071 Base-Backbone interact. energy: -0.041 local terms energy: -301.613686 where: bonds (distance) C4'-P energy: -54.103 bonds (distance) P-C4' energy: -62.202 flat angles C4'-P-C4' energy: -72.439 flat angles P-C4'-P energy: -45.003 tors. eta vs tors. theta energy: -67.868 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: 9 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -857.372892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.372892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.372892 (E_RNA) where: Base-Base interactions energy: -572.380 where: short stacking energy: -267.164 Base-Backbone interact. energy: -0.998 local terms energy: -283.994649 where: bonds (distance) C4'-P energy: -51.421 bonds (distance) P-C4' energy: -64.106 flat angles C4'-P-C4' energy: -63.841 flat angles P-C4'-P energy: -34.249 tors. eta vs tors. theta energy: -70.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -832.146853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.146853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.146853 (E_RNA) where: Base-Base interactions energy: -540.683 where: short stacking energy: -252.529 Base-Backbone interact. energy: -2.151 local terms energy: -289.312693 where: bonds (distance) C4'-P energy: -61.242 bonds (distance) P-C4' energy: -59.675 flat angles C4'-P-C4' energy: -56.255 flat angles P-C4'-P energy: -43.751 tors. eta vs tors. theta energy: -68.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -733.258076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.258076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.258076 (E_RNA) where: Base-Base interactions energy: -482.869 where: short stacking energy: -207.475 Base-Backbone interact. energy: -1.978 local terms energy: -248.410941 where: bonds (distance) C4'-P energy: -56.697 bonds (distance) P-C4' energy: -57.813 flat angles C4'-P-C4' energy: -51.430 flat angles P-C4'-P energy: -41.086 tors. eta vs tors. theta energy: -41.386 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: 8 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -713.075282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.075282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.075282 (E_RNA) where: Base-Base interactions energy: -459.399 where: short stacking energy: -215.823 Base-Backbone interact. energy: 1.113 local terms energy: -254.788543 where: bonds (distance) C4'-P energy: -57.263 bonds (distance) P-C4' energy: -51.398 flat angles C4'-P-C4' energy: -59.590 flat angles P-C4'-P energy: -41.313 tors. eta vs tors. theta energy: -45.224 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: 3 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -588.991652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.991652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.991652 (E_RNA) where: Base-Base interactions energy: -339.985 where: short stacking energy: -163.801 Base-Backbone interact. energy: 1.514 local terms energy: -250.520347 where: bonds (distance) C4'-P energy: -64.866 bonds (distance) P-C4' energy: -57.149 flat angles C4'-P-C4' energy: -54.015 flat angles P-C4'-P energy: -39.853 tors. eta vs tors. theta energy: -34.637 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: 25 Temperature: 1.250000 Total energy: -381.911625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.911625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.911625 (E_RNA) where: Base-Base interactions energy: -171.707 where: short stacking energy: -120.020 Base-Backbone interact. energy: -0.237 local terms energy: -209.967136 where: bonds (distance) C4'-P energy: -52.061 bonds (distance) P-C4' energy: -57.552 flat angles C4'-P-C4' energy: -52.379 flat angles P-C4'-P energy: -28.329 tors. eta vs tors. theta energy: -19.645 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: 9, replica: 10 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -344.567928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.567928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.567928 (E_RNA) where: Base-Base interactions energy: -173.365 where: short stacking energy: -113.706 Base-Backbone interact. energy: -0.679 local terms energy: -170.524335 where: bonds (distance) C4'-P energy: -46.378 bonds (distance) P-C4' energy: -60.591 flat angles C4'-P-C4' energy: -42.595 flat angles P-C4'-P energy: -15.469 tors. eta vs tors. theta energy: -5.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -296.925105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.925105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.925105 (E_RNA) where: Base-Base interactions energy: -146.098 where: short stacking energy: -71.150 Base-Backbone interact. energy: 0.282 local terms energy: -151.109073 where: bonds (distance) C4'-P energy: -32.610 bonds (distance) P-C4' energy: -62.548 flat angles C4'-P-C4' energy: -40.290 flat angles P-C4'-P energy: -40.708 tors. eta vs tors. theta energy: 25.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -1004.881374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.881374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.881374 (E_RNA) where: Base-Base interactions energy: -666.716 where: short stacking energy: -321.992 Base-Backbone interact. energy: 0.818 local terms energy: -338.983343 where: bonds (distance) C4'-P energy: -59.550 bonds (distance) P-C4' energy: -70.156 flat angles C4'-P-C4' energy: -73.176 flat angles P-C4'-P energy: -52.831 tors. eta vs tors. theta energy: -83.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -929.966626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.966626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.966626 (E_RNA) where: Base-Base interactions energy: -641.716 where: short stacking energy: -276.585 Base-Backbone interact. energy: -2.252 local terms energy: -285.998201 where: bonds (distance) C4'-P energy: -51.246 bonds (distance) P-C4' energy: -58.959 flat angles C4'-P-C4' energy: -64.633 flat angles P-C4'-P energy: -40.298 tors. eta vs tors. theta energy: -70.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -858.400471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.400471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.400471 (E_RNA) where: Base-Base interactions energy: -568.850 where: short stacking energy: -238.302 Base-Backbone interact. energy: -3.357 local terms energy: -286.193489 where: bonds (distance) C4'-P energy: -59.405 bonds (distance) P-C4' energy: -59.035 flat angles C4'-P-C4' energy: -67.565 flat angles P-C4'-P energy: -39.337 tors. eta vs tors. theta energy: -60.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -823.647380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.647380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.647380 (E_RNA) where: Base-Base interactions energy: -532.742 where: short stacking energy: -249.203 Base-Backbone interact. energy: 1.122 local terms energy: -292.026591 where: bonds (distance) C4'-P energy: -61.214 bonds (distance) P-C4' energy: -61.141 flat angles C4'-P-C4' energy: -69.019 flat angles P-C4'-P energy: -39.641 tors. eta vs tors. theta energy: -61.012 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: 8 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -769.170006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.170006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.170006 (E_RNA) where: Base-Base interactions energy: -490.971 where: short stacking energy: -239.286 Base-Backbone interact. energy: -0.110 local terms energy: -278.088923 where: bonds (distance) C4'-P energy: -60.997 bonds (distance) P-C4' energy: -60.834 flat angles C4'-P-C4' energy: -63.377 flat angles P-C4'-P energy: -31.341 tors. eta vs tors. theta energy: -61.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -704.120508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.120508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.120508 (E_RNA) where: Base-Base interactions energy: -448.739 where: short stacking energy: -192.526 Base-Backbone interact. energy: -1.647 local terms energy: -253.734994 where: bonds (distance) C4'-P energy: -58.470 bonds (distance) P-C4' energy: -53.798 flat angles C4'-P-C4' energy: -57.410 flat angles P-C4'-P energy: -42.251 tors. eta vs tors. theta energy: -41.806 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: 3 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -584.265402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.265402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.265402 (E_RNA) where: Base-Base interactions energy: -344.684 where: short stacking energy: -182.002 Base-Backbone interact. energy: -0.975 local terms energy: -238.606050 where: bonds (distance) C4'-P energy: -59.921 bonds (distance) P-C4' energy: -61.056 flat angles C4'-P-C4' energy: -55.952 flat angles P-C4'-P energy: -27.858 tors. eta vs tors. theta energy: -33.819 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: 26 Temperature: 1.250000 Total energy: -367.914180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.914180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.914180 (E_RNA) where: Base-Base interactions energy: -168.395 where: short stacking energy: -111.279 Base-Backbone interact. energy: -0.724 local terms energy: -198.795827 where: bonds (distance) C4'-P energy: -50.020 bonds (distance) P-C4' energy: -62.708 flat angles C4'-P-C4' energy: -44.533 flat angles P-C4'-P energy: -24.488 tors. eta vs tors. theta energy: -17.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -359.233409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.233409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.233409 (E_RNA) where: Base-Base interactions energy: -173.581 where: short stacking energy: -94.291 Base-Backbone interact. energy: -1.129 local terms energy: -184.523266 where: bonds (distance) C4'-P energy: -52.394 bonds (distance) P-C4' energy: -55.132 flat angles C4'-P-C4' energy: -56.439 flat angles P-C4'-P energy: -21.493 tors. eta vs tors. theta energy: 0.935 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: 10, replica: 4 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -272.991616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.991616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.991616 (E_RNA) where: Base-Base interactions energy: -105.576 where: short stacking energy: -96.035 Base-Backbone interact. energy: -2.420 local terms energy: -164.995755 where: bonds (distance) C4'-P energy: -41.967 bonds (distance) P-C4' energy: -50.786 flat angles C4'-P-C4' energy: -43.352 flat angles P-C4'-P energy: -30.843 tors. eta vs tors. theta energy: 1.952 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: 2 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -1005.060326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.060326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.060326 (E_RNA) where: Base-Base interactions energy: -667.278 where: short stacking energy: -307.421 Base-Backbone interact. energy: -3.108 local terms energy: -334.674227 where: bonds (distance) C4'-P energy: -62.042 bonds (distance) P-C4' energy: -67.101 flat angles C4'-P-C4' energy: -75.204 flat angles P-C4'-P energy: -50.932 tors. eta vs tors. theta energy: -79.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -1006.278165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.278165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.278165 (E_RNA) where: Base-Base interactions energy: -691.589 where: short stacking energy: -292.221 Base-Backbone interact. energy: -0.867 local terms energy: -313.822557 where: bonds (distance) C4'-P energy: -61.453 bonds (distance) P-C4' energy: -56.025 flat angles C4'-P-C4' energy: -71.135 flat angles P-C4'-P energy: -50.436 tors. eta vs tors. theta energy: -74.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -878.075458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.075458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.075458 (E_RNA) where: Base-Base interactions energy: -593.419 where: short stacking energy: -262.305 Base-Backbone interact. energy: -0.744 local terms energy: -283.912050 where: bonds (distance) C4'-P energy: -42.409 bonds (distance) P-C4' energy: -55.857 flat angles C4'-P-C4' energy: -72.808 flat angles P-C4'-P energy: -46.338 tors. eta vs tors. theta energy: -66.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -820.580410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.580410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.580410 (E_RNA) where: Base-Base interactions energy: -518.466 where: short stacking energy: -242.321 Base-Backbone interact. energy: -2.169 local terms energy: -299.945292 where: bonds (distance) C4'-P energy: -57.444 bonds (distance) P-C4' energy: -69.194 flat angles C4'-P-C4' energy: -67.499 flat angles P-C4'-P energy: -43.836 tors. eta vs tors. theta energy: -61.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -793.717855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.717855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.717855 (E_RNA) where: Base-Base interactions energy: -533.646 where: short stacking energy: -238.036 Base-Backbone interact. energy: 0.285 local terms energy: -260.356938 where: bonds (distance) C4'-P energy: -59.871 bonds (distance) P-C4' energy: -54.609 flat angles C4'-P-C4' energy: -56.639 flat angles P-C4'-P energy: -30.842 tors. eta vs tors. theta energy: -58.396 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: 3 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -646.068975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.068975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.068975 (E_RNA) where: Base-Base interactions energy: -393.043 where: short stacking energy: -217.445 Base-Backbone interact. energy: -2.758 local terms energy: -250.267515 where: bonds (distance) C4'-P energy: -48.737 bonds (distance) P-C4' energy: -52.434 flat angles C4'-P-C4' energy: -57.160 flat angles P-C4'-P energy: -40.949 tors. eta vs tors. theta energy: -50.987 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: 6 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -645.221842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.221842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.221842 (E_RNA) where: Base-Base interactions energy: -400.074 where: short stacking energy: -170.736 Base-Backbone interact. energy: -1.281 local terms energy: -243.867718 where: bonds (distance) C4'-P energy: -51.592 bonds (distance) P-C4' energy: -66.908 flat angles C4'-P-C4' energy: -56.882 flat angles P-C4'-P energy: -39.724 tors. eta vs tors. theta energy: -28.762 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: 8, replica: 10 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -364.733237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.733237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.733237 (E_RNA) where: Base-Base interactions energy: -144.660 where: short stacking energy: -103.686 Base-Backbone interact. energy: -1.078 local terms energy: -218.994910 where: bonds (distance) C4'-P energy: -55.738 bonds (distance) P-C4' energy: -56.644 flat angles C4'-P-C4' energy: -55.635 flat angles P-C4'-P energy: -37.038 tors. eta vs tors. theta energy: -13.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -356.188376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.188376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.188376 (E_RNA) where: Base-Base interactions energy: -152.367 where: short stacking energy: -102.764 Base-Backbone interact. energy: 1.018 local terms energy: -204.839753 where: bonds (distance) C4'-P energy: -54.624 bonds (distance) P-C4' energy: -68.179 flat angles C4'-P-C4' energy: -44.282 flat angles P-C4'-P energy: -33.035 tors. eta vs tors. theta energy: -4.720 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: 4 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -262.741183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.741183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.741183 (E_RNA) where: Base-Base interactions energy: -94.929 where: short stacking energy: -83.574 Base-Backbone interact. energy: -0.312 local terms energy: -167.500067 where: bonds (distance) C4'-P energy: -52.034 bonds (distance) P-C4' energy: -56.713 flat angles C4'-P-C4' energy: -33.885 flat angles P-C4'-P energy: -28.989 tors. eta vs tors. theta energy: 4.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -1022.979348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.979348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.979348 (E_RNA) where: Base-Base interactions energy: -710.968 where: short stacking energy: -315.731 Base-Backbone interact. energy: -0.615 local terms energy: -311.396073 where: bonds (distance) C4'-P energy: -57.630 bonds (distance) P-C4' energy: -58.015 flat angles C4'-P-C4' energy: -71.268 flat angles P-C4'-P energy: -39.168 tors. eta vs tors. theta energy: -85.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -998.760325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.760325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.760325 (E_RNA) where: Base-Base interactions energy: -659.671 where: short stacking energy: -320.473 Base-Backbone interact. energy: -1.459 local terms energy: -337.629436 where: bonds (distance) C4'-P energy: -52.994 bonds (distance) P-C4' energy: -74.876 flat angles C4'-P-C4' energy: -70.541 flat angles P-C4'-P energy: -49.741 tors. eta vs tors. theta energy: -89.478 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: 7 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -900.210903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.210903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.210903 (E_RNA) where: Base-Base interactions energy: -576.462 where: short stacking energy: -236.361 Base-Backbone interact. energy: -4.285 local terms energy: -319.463886 where: bonds (distance) C4'-P energy: -61.666 bonds (distance) P-C4' energy: -64.656 flat angles C4'-P-C4' energy: -75.703 flat angles P-C4'-P energy: -50.159 tors. eta vs tors. theta energy: -67.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -870.318959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.318959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.318959 (E_RNA) where: Base-Base interactions energy: -585.245 where: short stacking energy: -268.201 Base-Backbone interact. energy: -0.918 local terms energy: -284.155395 where: bonds (distance) C4'-P energy: -51.189 bonds (distance) P-C4' energy: -59.002 flat angles C4'-P-C4' energy: -63.773 flat angles P-C4'-P energy: -41.619 tors. eta vs tors. theta energy: -68.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -797.402514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.402514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.402514 (E_RNA) where: Base-Base interactions energy: -522.277 where: short stacking energy: -251.625 Base-Backbone interact. energy: -2.113 local terms energy: -273.012412 where: bonds (distance) C4'-P energy: -47.794 bonds (distance) P-C4' energy: -61.184 flat angles C4'-P-C4' energy: -55.981 flat angles P-C4'-P energy: -44.727 tors. eta vs tors. theta energy: -63.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -641.364826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.364826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.364826 (E_RNA) where: Base-Base interactions energy: -384.818 where: short stacking energy: -189.770 Base-Backbone interact. energy: -2.507 local terms energy: -254.040138 where: bonds (distance) C4'-P energy: -52.637 bonds (distance) P-C4' energy: -61.690 flat angles C4'-P-C4' energy: -66.297 flat angles P-C4'-P energy: -36.154 tors. eta vs tors. theta energy: -37.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -568.381606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.381606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.381606 (E_RNA) where: Base-Base interactions energy: -338.245 where: short stacking energy: -167.375 Base-Backbone interact. energy: 0.045 local terms energy: -230.181056 where: bonds (distance) C4'-P energy: -52.137 bonds (distance) P-C4' energy: -60.060 flat angles C4'-P-C4' energy: -48.681 flat angles P-C4'-P energy: -33.821 tors. eta vs tors. theta energy: -35.482 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: 10 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -325.393161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.393161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.393161 (E_RNA) where: Base-Base interactions energy: -133.234 where: short stacking energy: -75.594 Base-Backbone interact. energy: 0.021 local terms energy: -192.180812 where: bonds (distance) C4'-P energy: -53.694 bonds (distance) P-C4' energy: -54.883 flat angles C4'-P-C4' energy: -51.808 flat angles P-C4'-P energy: -42.401 tors. eta vs tors. theta energy: 10.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -285.317958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.317958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.317958 (E_RNA) where: Base-Base interactions energy: -105.768 where: short stacking energy: -89.946 Base-Backbone interact. energy: 0.451 local terms energy: -180.001239 where: bonds (distance) C4'-P energy: -53.026 bonds (distance) P-C4' energy: -47.773 flat angles C4'-P-C4' energy: -53.022 flat angles P-C4'-P energy: -26.112 tors. eta vs tors. theta energy: -0.068 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: 1 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -269.048466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.048466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.048466 (E_RNA) where: Base-Base interactions energy: -101.553 where: short stacking energy: -67.682 Base-Backbone interact. energy: 0.885 local terms energy: -168.380103 where: bonds (distance) C4'-P energy: -49.842 bonds (distance) P-C4' energy: -57.883 flat angles C4'-P-C4' energy: -41.192 flat angles P-C4'-P energy: -23.579 tors. eta vs tors. theta energy: 4.116 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: 5 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -1008.381629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.381629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.381629 (E_RNA) where: Base-Base interactions energy: -706.932 where: short stacking energy: -283.862 Base-Backbone interact. energy: -1.284 local terms energy: -300.166101 where: bonds (distance) C4'-P energy: -53.186 bonds (distance) P-C4' energy: -64.288 flat angles C4'-P-C4' energy: -66.889 flat angles P-C4'-P energy: -46.602 tors. eta vs tors. theta energy: -69.202 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: 2, replica: 2 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -1001.446290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.446290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.446290 (E_RNA) where: Base-Base interactions energy: -661.230 where: short stacking energy: -310.874 Base-Backbone interact. energy: -2.716 local terms energy: -337.500617 where: bonds (distance) C4'-P energy: -63.339 bonds (distance) P-C4' energy: -68.422 flat angles C4'-P-C4' energy: -71.742 flat angles P-C4'-P energy: -51.010 tors. eta vs tors. theta energy: -82.988 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: 7 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -917.557720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.557720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.557720 (E_RNA) where: Base-Base interactions energy: -616.438 where: short stacking energy: -268.570 Base-Backbone interact. energy: -1.581 local terms energy: -299.538725 where: bonds (distance) C4'-P energy: -54.136 bonds (distance) P-C4' energy: -59.579 flat angles C4'-P-C4' energy: -68.587 flat angles P-C4'-P energy: -40.383 tors. eta vs tors. theta energy: -76.855 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: 8 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -874.370777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.370777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.370777 (E_RNA) where: Base-Base interactions energy: -555.115 where: short stacking energy: -276.688 Base-Backbone interact. energy: 1.093 local terms energy: -320.349160 where: bonds (distance) C4'-P energy: -67.542 bonds (distance) P-C4' energy: -56.154 flat angles C4'-P-C4' energy: -77.951 flat angles P-C4'-P energy: -44.298 tors. eta vs tors. theta energy: -74.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -863.237531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.237531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.237531 (E_RNA) where: Base-Base interactions energy: -565.699 where: short stacking energy: -247.801 Base-Backbone interact. energy: 0.199 local terms energy: -297.737985 where: bonds (distance) C4'-P energy: -61.608 bonds (distance) P-C4' energy: -59.514 flat angles C4'-P-C4' energy: -62.130 flat angles P-C4'-P energy: -49.249 tors. eta vs tors. theta energy: -65.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -587.002958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.002958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.002958 (E_RNA) where: Base-Base interactions energy: -331.840 where: short stacking energy: -181.265 Base-Backbone interact. energy: -0.855 local terms energy: -254.307840 where: bonds (distance) C4'-P energy: -62.577 bonds (distance) P-C4' energy: -54.539 flat angles C4'-P-C4' energy: -58.434 flat angles P-C4'-P energy: -46.299 tors. eta vs tors. theta energy: -32.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -598.251785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.251785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.251785 (E_RNA) where: Base-Base interactions energy: -359.140 where: short stacking energy: -198.922 Base-Backbone interact. energy: 1.806 local terms energy: -240.917196 where: bonds (distance) C4'-P energy: -51.349 bonds (distance) P-C4' energy: -48.172 flat angles C4'-P-C4' energy: -65.000 flat angles P-C4'-P energy: -35.372 tors. eta vs tors. theta energy: -41.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -309.916852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.916852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.916852 (E_RNA) where: Base-Base interactions energy: -114.028 where: short stacking energy: -78.000 Base-Backbone interact. energy: -1.578 local terms energy: -194.311460 where: bonds (distance) C4'-P energy: -60.912 bonds (distance) P-C4' energy: -58.169 flat angles C4'-P-C4' energy: -59.238 flat angles P-C4'-P energy: -22.024 tors. eta vs tors. theta energy: 6.031 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: 4 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -305.971225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.971225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.971225 (E_RNA) where: Base-Base interactions energy: -127.844 where: short stacking energy: -112.111 Base-Backbone interact. energy: 0.300 local terms energy: -178.427664 where: bonds (distance) C4'-P energy: -57.634 bonds (distance) P-C4' energy: -50.883 flat angles C4'-P-C4' energy: -50.944 flat angles P-C4'-P energy: -22.152 tors. eta vs tors. theta energy: 3.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -254.264114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.264114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.264114 (E_RNA) where: Base-Base interactions energy: -102.506 where: short stacking energy: -78.266 Base-Backbone interact. energy: 0.177 local terms energy: -151.935368 where: bonds (distance) C4'-P energy: -48.514 bonds (distance) P-C4' energy: -55.449 flat angles C4'-P-C4' energy: -40.803 flat angles P-C4'-P energy: -22.073 tors. eta vs tors. theta energy: 14.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -1023.732259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.732259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.732259 (E_RNA) where: Base-Base interactions energy: -711.679 where: short stacking energy: -295.207 Base-Backbone interact. energy: -2.201 local terms energy: -309.851956 where: bonds (distance) C4'-P energy: -58.693 bonds (distance) P-C4' energy: -61.960 flat angles C4'-P-C4' energy: -63.588 flat angles P-C4'-P energy: -47.685 tors. eta vs tors. theta energy: -77.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -983.964259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.964259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.964259 (E_RNA) where: Base-Base interactions energy: -669.029 where: short stacking energy: -314.709 Base-Backbone interact. energy: -2.009 local terms energy: -312.925689 where: bonds (distance) C4'-P energy: -52.131 bonds (distance) P-C4' energy: -66.787 flat angles C4'-P-C4' energy: -63.545 flat angles P-C4'-P energy: -40.145 tors. eta vs tors. theta energy: -90.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -893.577804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.577804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.577804 (E_RNA) where: Base-Base interactions energy: -596.708 where: short stacking energy: -242.412 Base-Backbone interact. energy: -0.915 local terms energy: -295.954857 where: bonds (distance) C4'-P energy: -62.951 bonds (distance) P-C4' energy: -62.920 flat angles C4'-P-C4' energy: -66.641 flat angles P-C4'-P energy: -39.772 tors. eta vs tors. theta energy: -63.671 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: 8 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -854.761000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.761000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.761000 (E_RNA) where: Base-Base interactions energy: -566.470 where: short stacking energy: -268.553 Base-Backbone interact. energy: -0.291 local terms energy: -288.000253 where: bonds (distance) C4'-P energy: -52.976 bonds (distance) P-C4' energy: -66.525 flat angles C4'-P-C4' energy: -61.705 flat angles P-C4'-P energy: -39.505 tors. eta vs tors. theta energy: -67.289 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: 9 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -852.870189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.870189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.870189 (E_RNA) where: Base-Base interactions energy: -570.161 where: short stacking energy: -258.555 Base-Backbone interact. energy: -1.483 local terms energy: -281.226171 where: bonds (distance) C4'-P energy: -49.907 bonds (distance) P-C4' energy: -54.227 flat angles C4'-P-C4' energy: -70.605 flat angles P-C4'-P energy: -36.709 tors. eta vs tors. theta energy: -69.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -593.537379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.537379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.537379 (E_RNA) where: Base-Base interactions energy: -350.038 where: short stacking energy: -173.463 Base-Backbone interact. energy: 1.895 local terms energy: -245.394585 where: bonds (distance) C4'-P energy: -59.043 bonds (distance) P-C4' energy: -54.758 flat angles C4'-P-C4' energy: -51.323 flat angles P-C4'-P energy: -42.560 tors. eta vs tors. theta energy: -37.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -586.170754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.170754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.170754 (E_RNA) where: Base-Base interactions energy: -347.813 where: short stacking energy: -180.082 Base-Backbone interact. energy: 3.876 local terms energy: -242.234130 where: bonds (distance) C4'-P energy: -59.776 bonds (distance) P-C4' energy: -60.734 flat angles C4'-P-C4' energy: -62.884 flat angles P-C4'-P energy: -24.824 tors. eta vs tors. theta energy: -34.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -322.021037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.021037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.021037 (E_RNA) where: Base-Base interactions energy: -154.564 where: short stacking energy: -114.591 Base-Backbone interact. energy: 4.770 local terms energy: -172.227773 where: bonds (distance) C4'-P energy: -43.755 bonds (distance) P-C4' energy: -39.542 flat angles C4'-P-C4' energy: -51.603 flat angles P-C4'-P energy: -32.850 tors. eta vs tors. theta energy: -4.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -282.426504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.426504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.426504 (E_RNA) where: Base-Base interactions energy: -106.300 where: short stacking energy: -92.003 Base-Backbone interact. energy: -0.707 local terms energy: -175.419066 where: bonds (distance) C4'-P energy: -42.883 bonds (distance) P-C4' energy: -71.532 flat angles C4'-P-C4' energy: -49.941 flat angles P-C4'-P energy: -17.979 tors. eta vs tors. theta energy: 6.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -283.994986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.994986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.994986 (E_RNA) where: Base-Base interactions energy: -107.037 where: short stacking energy: -85.275 Base-Backbone interact. energy: 1.014 local terms energy: -177.971988 where: bonds (distance) C4'-P energy: -48.218 bonds (distance) P-C4' energy: -50.076 flat angles C4'-P-C4' energy: -55.490 flat angles P-C4'-P energy: -32.610 tors. eta vs tors. theta energy: 8.421 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: 5 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -1038.996445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.996445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.996445 (E_RNA) where: Base-Base interactions energy: -722.730 where: short stacking energy: -310.050 Base-Backbone interact. energy: -0.296 local terms energy: -315.969821 where: bonds (distance) C4'-P energy: -62.208 bonds (distance) P-C4' energy: -61.484 flat angles C4'-P-C4' energy: -65.030 flat angles P-C4'-P energy: -51.616 tors. eta vs tors. theta energy: -75.633 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: 2 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -957.674138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.674138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.674138 (E_RNA) where: Base-Base interactions energy: -625.099 where: short stacking energy: -298.641 Base-Backbone interact. energy: -2.208 local terms energy: -330.366927 where: bonds (distance) C4'-P energy: -55.101 bonds (distance) P-C4' energy: -67.383 flat angles C4'-P-C4' energy: -70.368 flat angles P-C4'-P energy: -49.624 tors. eta vs tors. theta energy: -87.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -890.929398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.929398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.929398 (E_RNA) where: Base-Base interactions energy: -585.525 where: short stacking energy: -266.555 Base-Backbone interact. energy: -1.331 local terms energy: -304.073235 where: bonds (distance) C4'-P energy: -62.388 bonds (distance) P-C4' energy: -61.575 flat angles C4'-P-C4' energy: -70.545 flat angles P-C4'-P energy: -33.588 tors. eta vs tors. theta energy: -75.977 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: 9 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -832.132528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.132528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.132528 (E_RNA) where: Base-Base interactions energy: -532.919 where: short stacking energy: -239.290 Base-Backbone interact. energy: -1.062 local terms energy: -298.151605 where: bonds (distance) C4'-P energy: -54.813 bonds (distance) P-C4' energy: -67.876 flat angles C4'-P-C4' energy: -67.995 flat angles P-C4'-P energy: -42.843 tors. eta vs tors. theta energy: -64.624 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: 8 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -855.899053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.899053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.899053 (E_RNA) where: Base-Base interactions energy: -561.304 where: short stacking energy: -254.025 Base-Backbone interact. energy: -0.013 local terms energy: -294.582012 where: bonds (distance) C4'-P energy: -55.990 bonds (distance) P-C4' energy: -60.644 flat angles C4'-P-C4' energy: -61.225 flat angles P-C4'-P energy: -48.936 tors. eta vs tors. theta energy: -67.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -620.882062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.882062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.882062 (E_RNA) where: Base-Base interactions energy: -368.188 where: short stacking energy: -199.885 Base-Backbone interact. energy: -0.800 local terms energy: -251.893505 where: bonds (distance) C4'-P energy: -51.162 bonds (distance) P-C4' energy: -65.250 flat angles C4'-P-C4' energy: -44.128 flat angles P-C4'-P energy: -39.035 tors. eta vs tors. theta energy: -52.319 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: 6 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -595.768204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.768204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.768204 (E_RNA) where: Base-Base interactions energy: -341.740 where: short stacking energy: -169.556 Base-Backbone interact. energy: -0.654 local terms energy: -253.373841 where: bonds (distance) C4'-P energy: -63.714 bonds (distance) P-C4' energy: -55.944 flat angles C4'-P-C4' energy: -61.935 flat angles P-C4'-P energy: -32.160 tors. eta vs tors. theta energy: -39.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -305.064587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.064587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.064587 (E_RNA) where: Base-Base interactions energy: -129.444 where: short stacking energy: -104.417 Base-Backbone interact. energy: 5.190 local terms energy: -180.810338 where: bonds (distance) C4'-P energy: -44.246 bonds (distance) P-C4' energy: -55.501 flat angles C4'-P-C4' energy: -50.621 flat angles P-C4'-P energy: -28.929 tors. eta vs tors. theta energy: -1.514 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: 10 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -309.294439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.294439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.294439 (E_RNA) where: Base-Base interactions energy: -123.601 where: short stacking energy: -96.271 Base-Backbone interact. energy: 0.469 local terms energy: -186.162197 where: bonds (distance) C4'-P energy: -55.162 bonds (distance) P-C4' energy: -46.906 flat angles C4'-P-C4' energy: -55.191 flat angles P-C4'-P energy: -38.164 tors. eta vs tors. theta energy: 9.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -272.206483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.206483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.206483 (E_RNA) where: Base-Base interactions energy: -99.480 where: short stacking energy: -68.155 Base-Backbone interact. energy: -1.378 local terms energy: -171.348494 where: bonds (distance) C4'-P energy: -48.990 bonds (distance) P-C4' energy: -55.541 flat angles C4'-P-C4' energy: -56.353 flat angles P-C4'-P energy: -19.654 tors. eta vs tors. theta energy: 9.190 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: 2 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -975.589743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.589743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.589743 (E_RNA) where: Base-Base interactions energy: -642.007 where: short stacking energy: -320.570 Base-Backbone interact. energy: -2.907 local terms energy: -330.675574 where: bonds (distance) C4'-P energy: -58.797 bonds (distance) P-C4' energy: -69.942 flat angles C4'-P-C4' energy: -68.514 flat angles P-C4'-P energy: -53.066 tors. eta vs tors. theta energy: -80.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -1021.739816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.739816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.739816 (E_RNA) where: Base-Base interactions energy: -712.927 where: short stacking energy: -296.224 Base-Backbone interact. energy: -2.556 local terms energy: -306.256918 where: bonds (distance) C4'-P energy: -60.307 bonds (distance) P-C4' energy: -61.013 flat angles C4'-P-C4' energy: -69.005 flat angles P-C4'-P energy: -42.627 tors. eta vs tors. theta energy: -73.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -855.278765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.278765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.278765 (E_RNA) where: Base-Base interactions energy: -554.624 where: short stacking energy: -256.926 Base-Backbone interact. energy: -2.162 local terms energy: -298.492685 where: bonds (distance) C4'-P energy: -61.740 bonds (distance) P-C4' energy: -62.679 flat angles C4'-P-C4' energy: -57.180 flat angles P-C4'-P energy: -41.803 tors. eta vs tors. theta energy: -75.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -909.943136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.943136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.943136 (E_RNA) where: Base-Base interactions energy: -609.199 where: short stacking energy: -268.384 Base-Backbone interact. energy: -1.772 local terms energy: -298.972041 where: bonds (distance) C4'-P energy: -49.581 bonds (distance) P-C4' energy: -67.301 flat angles C4'-P-C4' energy: -64.567 flat angles P-C4'-P energy: -44.504 tors. eta vs tors. theta energy: -73.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -811.796112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.796112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.796112 (E_RNA) where: Base-Base interactions energy: -534.889 where: short stacking energy: -232.388 Base-Backbone interact. energy: 1.992 local terms energy: -278.898893 where: bonds (distance) C4'-P energy: -52.013 bonds (distance) P-C4' energy: -60.490 flat angles C4'-P-C4' energy: -63.820 flat angles P-C4'-P energy: -35.800 tors. eta vs tors. theta energy: -66.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -637.202513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.202513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.202513 (E_RNA) where: Base-Base interactions energy: -373.664 where: short stacking energy: -207.609 Base-Backbone interact. energy: -1.574 local terms energy: -261.965371 where: bonds (distance) C4'-P energy: -62.273 bonds (distance) P-C4' energy: -59.188 flat angles C4'-P-C4' energy: -55.492 flat angles P-C4'-P energy: -38.233 tors. eta vs tors. theta energy: -46.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -589.460006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.460006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.460006 (E_RNA) where: Base-Base interactions energy: -358.388 where: short stacking energy: -179.444 Base-Backbone interact. energy: 2.343 local terms energy: -233.415691 where: bonds (distance) C4'-P energy: -52.796 bonds (distance) P-C4' energy: -67.373 flat angles C4'-P-C4' energy: -53.259 flat angles P-C4'-P energy: -24.229 tors. eta vs tors. theta energy: -35.758 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: 32 Temperature: 1.250000 Total energy: -314.823179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.823179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.823179 (E_RNA) where: Base-Base interactions energy: -144.876 where: short stacking energy: -97.561 Base-Backbone interact. energy: 0.804 local terms energy: -170.750535 where: bonds (distance) C4'-P energy: -44.811 bonds (distance) P-C4' energy: -51.174 flat angles C4'-P-C4' energy: -56.201 flat angles P-C4'-P energy: -37.189 tors. eta vs tors. theta energy: 18.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -319.379560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.379560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.379560 (E_RNA) where: Base-Base interactions energy: -122.001 where: short stacking energy: -75.956 Base-Backbone interact. energy: 3.719 local terms energy: -201.097446 where: bonds (distance) C4'-P energy: -62.143 bonds (distance) P-C4' energy: -55.087 flat angles C4'-P-C4' energy: -48.861 flat angles P-C4'-P energy: -31.303 tors. eta vs tors. theta energy: -3.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -255.503783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.503783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.503783 (E_RNA) where: Base-Base interactions energy: -85.858 where: short stacking energy: -70.950 Base-Backbone interact. energy: -1.408 local terms energy: -168.237505 where: bonds (distance) C4'-P energy: -53.646 bonds (distance) P-C4' energy: -51.610 flat angles C4'-P-C4' energy: -46.772 flat angles P-C4'-P energy: -25.083 tors. eta vs tors. theta energy: 8.874 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: 2 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -975.843896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.843896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.843896 (E_RNA) where: Base-Base interactions energy: -642.693 where: short stacking energy: -309.377 Base-Backbone interact. energy: -3.212 local terms energy: -329.938585 where: bonds (distance) C4'-P energy: -65.736 bonds (distance) P-C4' energy: -64.551 flat angles C4'-P-C4' energy: -73.685 flat angles P-C4'-P energy: -50.912 tors. eta vs tors. theta energy: -75.056 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: 2, replica: 5 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -999.994228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.994228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.994228 (E_RNA) where: Base-Base interactions energy: -690.757 where: short stacking energy: -286.787 Base-Backbone interact. energy: -1.870 local terms energy: -307.367246 where: bonds (distance) C4'-P energy: -64.540 bonds (distance) P-C4' energy: -54.618 flat angles C4'-P-C4' energy: -73.186 flat angles P-C4'-P energy: -41.926 tors. eta vs tors. theta energy: -73.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -888.804426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.804426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.804426 (E_RNA) where: Base-Base interactions energy: -609.279 where: short stacking energy: -262.708 Base-Backbone interact. energy: 0.622 local terms energy: -280.148234 where: bonds (distance) C4'-P energy: -53.740 bonds (distance) P-C4' energy: -57.297 flat angles C4'-P-C4' energy: -65.637 flat angles P-C4'-P energy: -29.489 tors. eta vs tors. theta energy: -73.985 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: 9 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -945.954980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.954980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.954980 (E_RNA) where: Base-Base interactions energy: -638.017 where: short stacking energy: -285.671 Base-Backbone interact. energy: -1.865 local terms energy: -306.073063 where: bonds (distance) C4'-P energy: -55.547 bonds (distance) P-C4' energy: -55.999 flat angles C4'-P-C4' energy: -71.585 flat angles P-C4'-P energy: -47.838 tors. eta vs tors. theta energy: -75.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -855.774601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.774601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.774601 (E_RNA) where: Base-Base interactions energy: -563.773 where: short stacking energy: -269.709 Base-Backbone interact. energy: -0.741 local terms energy: -291.261073 where: bonds (distance) C4'-P energy: -54.147 bonds (distance) P-C4' energy: -59.340 flat angles C4'-P-C4' energy: -68.471 flat angles P-C4'-P energy: -32.742 tors. eta vs tors. theta energy: -76.561 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: 3 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -632.357850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.357850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.357850 (E_RNA) where: Base-Base interactions energy: -387.246 where: short stacking energy: -222.259 Base-Backbone interact. energy: -0.830 local terms energy: -244.281572 where: bonds (distance) C4'-P energy: -53.394 bonds (distance) P-C4' energy: -54.667 flat angles C4'-P-C4' energy: -47.498 flat angles P-C4'-P energy: -36.055 tors. eta vs tors. theta energy: -52.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -563.723409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.723409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.723409 (E_RNA) where: Base-Base interactions energy: -352.161 where: short stacking energy: -183.492 Base-Backbone interact. energy: -1.127 local terms energy: -210.435908 where: bonds (distance) C4'-P energy: -54.359 bonds (distance) P-C4' energy: -43.739 flat angles C4'-P-C4' energy: -48.066 flat angles P-C4'-P energy: -30.896 tors. eta vs tors. theta energy: -33.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -338.072816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.072816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.072816 (E_RNA) where: Base-Base interactions energy: -147.761 where: short stacking energy: -127.589 Base-Backbone interact. energy: 0.298 local terms energy: -190.610204 where: bonds (distance) C4'-P energy: -39.645 bonds (distance) P-C4' energy: -57.643 flat angles C4'-P-C4' energy: -54.540 flat angles P-C4'-P energy: -29.665 tors. eta vs tors. theta energy: -9.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -274.059773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.059773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.059773 (E_RNA) where: Base-Base interactions energy: -97.554 where: short stacking energy: -80.516 Base-Backbone interact. energy: -1.382 local terms energy: -175.124195 where: bonds (distance) C4'-P energy: -37.657 bonds (distance) P-C4' energy: -61.139 flat angles C4'-P-C4' energy: -43.594 flat angles P-C4'-P energy: -42.861 tors. eta vs tors. theta energy: 10.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -282.756923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.756923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.756923 (E_RNA) where: Base-Base interactions energy: -109.230 where: short stacking energy: -91.414 Base-Backbone interact. energy: -1.648 local terms energy: -171.879536 where: bonds (distance) C4'-P energy: -58.337 bonds (distance) P-C4' energy: -51.988 flat angles C4'-P-C4' energy: -52.341 flat angles P-C4'-P energy: -15.929 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: 1, replica: 5 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -1053.060058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.060058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.060058 (E_RNA) where: Base-Base interactions energy: -742.087 where: short stacking energy: -312.007 Base-Backbone interact. energy: -0.847 local terms energy: -310.126103 where: bonds (distance) C4'-P energy: -54.841 bonds (distance) P-C4' energy: -66.355 flat angles C4'-P-C4' energy: -62.559 flat angles P-C4'-P energy: -42.029 tors. eta vs tors. theta energy: -84.342 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: 2 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -973.198928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.198928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.198928 (E_RNA) where: Base-Base interactions energy: -649.304 where: short stacking energy: -293.978 Base-Backbone interact. energy: -2.174 local terms energy: -321.720979 where: bonds (distance) C4'-P energy: -63.355 bonds (distance) P-C4' energy: -66.847 flat angles C4'-P-C4' energy: -63.590 flat angles P-C4'-P energy: -43.456 tors. eta vs tors. theta energy: -84.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -879.230000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.230000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.230000 (E_RNA) where: Base-Base interactions energy: -575.259 where: short stacking energy: -259.872 Base-Backbone interact. energy: -2.018 local terms energy: -301.952608 where: bonds (distance) C4'-P energy: -59.340 bonds (distance) P-C4' energy: -66.144 flat angles C4'-P-C4' energy: -61.293 flat angles P-C4'-P energy: -43.406 tors. eta vs tors. theta energy: -71.770 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: 4, replica: 9 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -939.362288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.362288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.362288 (E_RNA) where: Base-Base interactions energy: -617.548 where: short stacking energy: -285.575 Base-Backbone interact. energy: -0.878 local terms energy: -320.936733 where: bonds (distance) C4'-P energy: -64.191 bonds (distance) P-C4' energy: -64.798 flat angles C4'-P-C4' energy: -61.090 flat angles P-C4'-P energy: -47.318 tors. eta vs tors. theta energy: -83.540 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: 8 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -887.342605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.342605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.342605 (E_RNA) where: Base-Base interactions energy: -600.914 where: short stacking energy: -257.450 Base-Backbone interact. energy: -1.442 local terms energy: -284.985956 where: bonds (distance) C4'-P energy: -52.435 bonds (distance) P-C4' energy: -57.282 flat angles C4'-P-C4' energy: -57.426 flat angles P-C4'-P energy: -45.389 tors. eta vs tors. theta energy: -72.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -635.715804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.715804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.715804 (E_RNA) where: Base-Base interactions energy: -398.864 where: short stacking energy: -215.738 Base-Backbone interact. energy: -0.833 local terms energy: -236.018844 where: bonds (distance) C4'-P energy: -46.216 bonds (distance) P-C4' energy: -50.917 flat angles C4'-P-C4' energy: -55.697 flat angles P-C4'-P energy: -34.873 tors. eta vs tors. theta energy: -48.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -609.781104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.781104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.781104 (E_RNA) where: Base-Base interactions energy: -380.485 where: short stacking energy: -179.294 Base-Backbone interact. energy: 0.416 local terms energy: -229.711210 where: bonds (distance) C4'-P energy: -44.950 bonds (distance) P-C4' energy: -52.584 flat angles C4'-P-C4' energy: -54.835 flat angles P-C4'-P energy: -36.715 tors. eta vs tors. theta energy: -40.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -318.952352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.952352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.952352 (E_RNA) where: Base-Base interactions energy: -122.683 where: short stacking energy: -110.502 Base-Backbone interact. energy: -0.667 local terms energy: -195.602437 where: bonds (distance) C4'-P energy: -62.565 bonds (distance) P-C4' energy: -55.766 flat angles C4'-P-C4' energy: -51.170 flat angles P-C4'-P energy: -18.979 tors. eta vs tors. theta energy: -7.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -299.675987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.675987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.675987 (E_RNA) where: Base-Base interactions energy: -126.751 where: short stacking energy: -79.599 Base-Backbone interact. energy: 1.680 local terms energy: -174.605805 where: bonds (distance) C4'-P energy: -40.558 bonds (distance) P-C4' energy: -59.458 flat angles C4'-P-C4' energy: -50.561 flat angles P-C4'-P energy: -31.279 tors. eta vs tors. theta energy: 7.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -295.325575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.325575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.325575 (E_RNA) where: Base-Base interactions energy: -100.558 where: short stacking energy: -61.935 Base-Backbone interact. energy: -1.832 local terms energy: -192.934974 where: bonds (distance) C4'-P energy: -60.964 bonds (distance) P-C4' energy: -59.430 flat angles C4'-P-C4' energy: -47.205 flat angles P-C4'-P energy: -31.770 tors. eta vs tors. theta energy: 6.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -1047.632004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.632004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.632004 (E_RNA) where: Base-Base interactions energy: -726.917 where: short stacking energy: -298.841 Base-Backbone interact. energy: 0.352 local terms energy: -321.066984 where: bonds (distance) C4'-P energy: -62.343 bonds (distance) P-C4' energy: -62.323 flat angles C4'-P-C4' energy: -70.091 flat angles P-C4'-P energy: -45.169 tors. eta vs tors. theta energy: -81.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -968.051442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.051442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.051442 (E_RNA) where: Base-Base interactions energy: -654.077 where: short stacking energy: -309.103 Base-Backbone interact. energy: -1.633 local terms energy: -312.342179 where: bonds (distance) C4'-P energy: -56.891 bonds (distance) P-C4' energy: -58.785 flat angles C4'-P-C4' energy: -71.565 flat angles P-C4'-P energy: -38.340 tors. eta vs tors. theta energy: -86.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -869.801820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.801820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.801820 (E_RNA) where: Base-Base interactions energy: -571.150 where: short stacking energy: -266.899 Base-Backbone interact. energy: 1.986 local terms energy: -300.638011 where: bonds (distance) C4'-P energy: -58.978 bonds (distance) P-C4' energy: -53.132 flat angles C4'-P-C4' energy: -71.935 flat angles P-C4'-P energy: -43.804 tors. eta vs tors. theta energy: -72.789 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: 9 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -925.463626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.463626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.463626 (E_RNA) where: Base-Base interactions energy: -624.687 where: short stacking energy: -252.084 Base-Backbone interact. energy: -2.464 local terms energy: -298.312174 where: bonds (distance) C4'-P energy: -57.664 bonds (distance) P-C4' energy: -55.880 flat angles C4'-P-C4' energy: -66.131 flat angles P-C4'-P energy: -41.916 tors. eta vs tors. theta energy: -76.721 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: 5, replica: 8 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -876.871151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.871151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.871151 (E_RNA) where: Base-Base interactions energy: -586.566 where: short stacking energy: -264.685 Base-Backbone interact. energy: -0.426 local terms energy: -289.878544 where: bonds (distance) C4'-P energy: -52.353 bonds (distance) P-C4' energy: -68.840 flat angles C4'-P-C4' energy: -61.070 flat angles P-C4'-P energy: -36.560 tors. eta vs tors. theta energy: -71.055 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: 3 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -647.734228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.734228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.734228 (E_RNA) where: Base-Base interactions energy: -386.634 where: short stacking energy: -184.907 Base-Backbone interact. energy: 3.087 local terms energy: -264.187311 where: bonds (distance) C4'-P energy: -60.907 bonds (distance) P-C4' energy: -58.929 flat angles C4'-P-C4' energy: -59.690 flat angles P-C4'-P energy: -40.918 tors. eta vs tors. theta energy: -43.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -587.414466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.414466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.414466 (E_RNA) where: Base-Base interactions energy: -361.259 where: short stacking energy: -145.647 Base-Backbone interact. energy: -2.984 local terms energy: -223.171478 where: bonds (distance) C4'-P energy: -50.691 bonds (distance) P-C4' energy: -56.760 flat angles C4'-P-C4' energy: -60.915 flat angles P-C4'-P energy: -26.904 tors. eta vs tors. theta energy: -27.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -325.616854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.616854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.616854 (E_RNA) where: Base-Base interactions energy: -149.976 where: short stacking energy: -119.586 Base-Backbone interact. energy: -1.382 local terms energy: -174.258975 where: bonds (distance) C4'-P energy: -36.069 bonds (distance) P-C4' energy: -50.551 flat angles C4'-P-C4' energy: -46.318 flat angles P-C4'-P energy: -24.825 tors. eta vs tors. theta energy: -16.495 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: 9, replica: 10 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -298.127213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.127213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.127213 (E_RNA) where: Base-Base interactions energy: -122.535 where: short stacking energy: -80.159 Base-Backbone interact. energy: -1.163 local terms energy: -174.429606 where: bonds (distance) C4'-P energy: -56.827 bonds (distance) P-C4' energy: -58.997 flat angles C4'-P-C4' energy: -41.920 flat angles P-C4'-P energy: -26.104 tors. eta vs tors. theta energy: 9.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -334.353223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.353223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.353223 (E_RNA) where: Base-Base interactions energy: -144.900 where: short stacking energy: -85.456 Base-Backbone interact. energy: -0.028 local terms energy: -189.424555 where: bonds (distance) C4'-P energy: -54.386 bonds (distance) P-C4' energy: -57.950 flat angles C4'-P-C4' energy: -44.915 flat angles P-C4'-P energy: -34.117 tors. eta vs tors. theta energy: 1.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -1053.079522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.079522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.079522 (E_RNA) where: Base-Base interactions energy: -751.780 where: short stacking energy: -299.345 Base-Backbone interact. energy: 1.705 local terms energy: -303.004340 where: bonds (distance) C4'-P energy: -60.371 bonds (distance) P-C4' energy: -59.079 flat angles C4'-P-C4' energy: -65.610 flat angles P-C4'-P energy: -42.162 tors. eta vs tors. theta energy: -75.783 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: 2, replica: 2 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -987.451202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.451202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.451202 (E_RNA) where: Base-Base interactions energy: -649.479 where: short stacking energy: -300.208 Base-Backbone interact. energy: -2.057 local terms energy: -335.915357 where: bonds (distance) C4'-P energy: -58.027 bonds (distance) P-C4' energy: -68.408 flat angles C4'-P-C4' energy: -73.570 flat angles P-C4'-P energy: -44.683 tors. eta vs tors. theta energy: -91.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -945.143167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.143167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.143167 (E_RNA) where: Base-Base interactions energy: -639.893 where: short stacking energy: -281.333 Base-Backbone interact. energy: -0.008 local terms energy: -305.241612 where: bonds (distance) C4'-P energy: -57.772 bonds (distance) P-C4' energy: -59.049 flat angles C4'-P-C4' energy: -69.284 flat angles P-C4'-P energy: -42.129 tors. eta vs tors. theta energy: -77.008 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: 7 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -851.336082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.336082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.336082 (E_RNA) where: Base-Base interactions energy: -557.928 where: short stacking energy: -237.439 Base-Backbone interact. energy: -1.470 local terms energy: -291.938592 where: bonds (distance) C4'-P energy: -63.678 bonds (distance) P-C4' energy: -58.332 flat angles C4'-P-C4' energy: -59.215 flat angles P-C4'-P energy: -51.473 tors. eta vs tors. theta energy: -59.240 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: 8 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -869.403937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.403937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.403937 (E_RNA) where: Base-Base interactions energy: -582.016 where: short stacking energy: -268.661 Base-Backbone interact. energy: -0.409 local terms energy: -286.979258 where: bonds (distance) C4'-P energy: -48.739 bonds (distance) P-C4' energy: -58.725 flat angles C4'-P-C4' energy: -65.960 flat angles P-C4'-P energy: -34.995 tors. eta vs tors. theta energy: -78.561 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: 3 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -672.591399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.591399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.591399 (E_RNA) where: Base-Base interactions energy: -398.347 where: short stacking energy: -196.390 Base-Backbone interact. energy: -0.900 local terms energy: -273.344532 where: bonds (distance) C4'-P energy: -49.323 bonds (distance) P-C4' energy: -67.086 flat angles C4'-P-C4' energy: -63.489 flat angles P-C4'-P energy: -52.020 tors. eta vs tors. theta energy: -41.426 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: 7, replica: 6 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -595.407648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.407648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.407648 (E_RNA) where: Base-Base interactions energy: -365.324 where: short stacking energy: -167.624 Base-Backbone interact. energy: 1.064 local terms energy: -231.147327 where: bonds (distance) C4'-P energy: -39.813 bonds (distance) P-C4' energy: -65.363 flat angles C4'-P-C4' energy: -50.941 flat angles P-C4'-P energy: -36.404 tors. eta vs tors. theta energy: -38.627 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: 36 Temperature: 1.250000 Total energy: -333.489117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.489117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.489117 (E_RNA) where: Base-Base interactions energy: -134.881 where: short stacking energy: -93.762 Base-Backbone interact. energy: -2.132 local terms energy: -196.476166 where: bonds (distance) C4'-P energy: -57.090 bonds (distance) P-C4' energy: -57.167 flat angles C4'-P-C4' energy: -53.880 flat angles P-C4'-P energy: -28.476 tors. eta vs tors. theta energy: 0.136 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: 4 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -335.920144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.920144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.920144 (E_RNA) where: Base-Base interactions energy: -152.127 where: short stacking energy: -93.889 Base-Backbone interact. energy: 0.169 local terms energy: -183.962455 where: bonds (distance) C4'-P energy: -50.785 bonds (distance) P-C4' energy: -49.809 flat angles C4'-P-C4' energy: -46.567 flat angles P-C4'-P energy: -39.506 tors. eta vs tors. theta energy: 2.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -292.346819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.346819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.346819 (E_RNA) where: Base-Base interactions energy: -120.405 where: short stacking energy: -94.728 Base-Backbone interact. energy: -1.435 local terms energy: -170.506652 where: bonds (distance) C4'-P energy: -54.075 bonds (distance) P-C4' energy: -53.309 flat angles C4'-P-C4' energy: -35.444 flat angles P-C4'-P energy: -26.851 tors. eta vs tors. theta energy: -0.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -1044.184195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.184195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.184195 (E_RNA) where: Base-Base interactions energy: -725.547 where: short stacking energy: -298.523 Base-Backbone interact. energy: 0.680 local terms energy: -319.316642 where: bonds (distance) C4'-P energy: -67.938 bonds (distance) P-C4' energy: -54.228 flat angles C4'-P-C4' energy: -74.191 flat angles P-C4'-P energy: -40.075 tors. eta vs tors. theta energy: -82.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -997.461168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.461168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.461168 (E_RNA) where: Base-Base interactions energy: -670.982 where: short stacking energy: -298.926 Base-Backbone interact. energy: -1.023 local terms energy: -325.456228 where: bonds (distance) C4'-P energy: -64.628 bonds (distance) P-C4' energy: -64.097 flat angles C4'-P-C4' energy: -71.088 flat angles P-C4'-P energy: -43.168 tors. eta vs tors. theta energy: -82.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -965.774141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.774141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.774141 (E_RNA) where: Base-Base interactions energy: -667.123 where: short stacking energy: -278.621 Base-Backbone interact. energy: 0.438 local terms energy: -299.089136 where: bonds (distance) C4'-P energy: -57.551 bonds (distance) P-C4' energy: -55.387 flat angles C4'-P-C4' energy: -66.502 flat angles P-C4'-P energy: -44.107 tors. eta vs tors. theta energy: -75.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -898.171837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.171837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.171837 (E_RNA) where: Base-Base interactions energy: -596.424 where: short stacking energy: -275.000 Base-Backbone interact. energy: 0.337 local terms energy: -302.085126 where: bonds (distance) C4'-P energy: -52.427 bonds (distance) P-C4' energy: -65.595 flat angles C4'-P-C4' energy: -67.950 flat angles P-C4'-P energy: -43.314 tors. eta vs tors. theta energy: -72.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -807.523010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.523010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.523010 (E_RNA) where: Base-Base interactions energy: -529.239 where: short stacking energy: -226.246 Base-Backbone interact. energy: -2.290 local terms energy: -275.993129 where: bonds (distance) C4'-P energy: -61.577 bonds (distance) P-C4' energy: -62.563 flat angles C4'-P-C4' energy: -57.053 flat angles P-C4'-P energy: -40.605 tors. eta vs tors. theta energy: -54.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -629.494778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.494778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.494778 (E_RNA) where: Base-Base interactions energy: -377.419 where: short stacking energy: -197.230 Base-Backbone interact. energy: -1.368 local terms energy: -250.707491 where: bonds (distance) C4'-P energy: -58.705 bonds (distance) P-C4' energy: -56.015 flat angles C4'-P-C4' energy: -62.411 flat angles P-C4'-P energy: -29.240 tors. eta vs tors. theta energy: -44.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -558.221341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.221341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.221341 (E_RNA) where: Base-Base interactions energy: -335.488 where: short stacking energy: -171.386 Base-Backbone interact. energy: 2.338 local terms energy: -225.071249 where: bonds (distance) C4'-P energy: -54.446 bonds (distance) P-C4' energy: -58.268 flat angles C4'-P-C4' energy: -62.707 flat angles P-C4'-P energy: -28.104 tors. eta vs tors. theta energy: -21.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -331.902609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.902609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.902609 (E_RNA) where: Base-Base interactions energy: -128.250 where: short stacking energy: -98.202 Base-Backbone interact. energy: 0.077 local terms energy: -203.729272 where: bonds (distance) C4'-P energy: -65.388 bonds (distance) P-C4' energy: -52.369 flat angles C4'-P-C4' energy: -48.941 flat angles P-C4'-P energy: -31.977 tors. eta vs tors. theta energy: -5.055 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: 4 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -382.989542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.989542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.989542 (E_RNA) where: Base-Base interactions energy: -159.501 where: short stacking energy: -111.906 Base-Backbone interact. energy: -0.960 local terms energy: -222.528709 where: bonds (distance) C4'-P energy: -61.649 bonds (distance) P-C4' energy: -54.855 flat angles C4'-P-C4' energy: -55.543 flat angles P-C4'-P energy: -35.300 tors. eta vs tors. theta energy: -15.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -261.305709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.305709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.305709 (E_RNA) where: Base-Base interactions energy: -83.003 where: short stacking energy: -78.631 Base-Backbone interact. energy: 1.349 local terms energy: -179.652067 where: bonds (distance) C4'-P energy: -49.665 bonds (distance) P-C4' energy: -51.343 flat angles C4'-P-C4' energy: -51.758 flat angles P-C4'-P energy: -31.323 tors. eta vs tors. theta energy: 4.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -1030.899069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.899069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.899069 (E_RNA) where: Base-Base interactions energy: -709.266 where: short stacking energy: -293.630 Base-Backbone interact. energy: 0.305 local terms energy: -321.938237 where: bonds (distance) C4'-P energy: -66.487 bonds (distance) P-C4' energy: -64.918 flat angles C4'-P-C4' energy: -66.047 flat angles P-C4'-P energy: -48.868 tors. eta vs tors. theta energy: -75.618 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: 2 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -1008.991066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.991066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.991066 (E_RNA) where: Base-Base interactions energy: -684.196 where: short stacking energy: -306.847 Base-Backbone interact. energy: -2.474 local terms energy: -322.320867 where: bonds (distance) C4'-P energy: -61.529 bonds (distance) P-C4' energy: -60.109 flat angles C4'-P-C4' energy: -73.912 flat angles P-C4'-P energy: -43.572 tors. eta vs tors. theta energy: -83.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -979.523293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.523293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.523293 (E_RNA) where: Base-Base interactions energy: -658.706 where: short stacking energy: -265.624 Base-Backbone interact. energy: -3.742 local terms energy: -317.075597 where: bonds (distance) C4'-P energy: -59.203 bonds (distance) P-C4' energy: -69.574 flat angles C4'-P-C4' energy: -67.516 flat angles P-C4'-P energy: -50.289 tors. eta vs tors. theta energy: -70.494 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: 8 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -960.484531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.484531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.484531 (E_RNA) where: Base-Base interactions energy: -644.608 where: short stacking energy: -289.891 Base-Backbone interact. energy: -1.426 local terms energy: -314.450300 where: bonds (distance) C4'-P energy: -54.940 bonds (distance) P-C4' energy: -59.021 flat angles C4'-P-C4' energy: -68.044 flat angles P-C4'-P energy: -44.799 tors. eta vs tors. theta energy: -87.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -806.612465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.612465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.612465 (E_RNA) where: Base-Base interactions energy: -523.684 where: short stacking energy: -243.934 Base-Backbone interact. energy: -2.176 local terms energy: -280.752534 where: bonds (distance) C4'-P energy: -48.378 bonds (distance) P-C4' energy: -59.402 flat angles C4'-P-C4' energy: -65.589 flat angles P-C4'-P energy: -47.960 tors. eta vs tors. theta energy: -59.423 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: 6, replica: 3 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -634.501811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.501811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.501811 (E_RNA) where: Base-Base interactions energy: -378.445 where: short stacking energy: -201.402 Base-Backbone interact. energy: 2.524 local terms energy: -258.580454 where: bonds (distance) C4'-P energy: -53.642 bonds (distance) P-C4' energy: -58.708 flat angles C4'-P-C4' energy: -68.633 flat angles P-C4'-P energy: -26.880 tors. eta vs tors. theta energy: -50.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -579.109819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.109819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.109819 (E_RNA) where: Base-Base interactions energy: -325.719 where: short stacking energy: -169.011 Base-Backbone interact. energy: 3.012 local terms energy: -256.403238 where: bonds (distance) C4'-P energy: -60.187 bonds (distance) P-C4' energy: -61.483 flat angles C4'-P-C4' energy: -54.769 flat angles P-C4'-P energy: -34.863 tors. eta vs tors. theta energy: -45.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -310.314125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.314125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.314125 (E_RNA) where: Base-Base interactions energy: -112.887 where: short stacking energy: -81.060 Base-Backbone interact. energy: 0.836 local terms energy: -198.263735 where: bonds (distance) C4'-P energy: -53.950 bonds (distance) P-C4' energy: -57.315 flat angles C4'-P-C4' energy: -53.088 flat angles P-C4'-P energy: -34.215 tors. eta vs tors. theta energy: 0.305 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: 4 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -334.603136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.603136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.603136 (E_RNA) where: Base-Base interactions energy: -144.787 where: short stacking energy: -81.370 Base-Backbone interact. energy: -1.698 local terms energy: -188.117949 where: bonds (distance) C4'-P energy: -60.682 bonds (distance) P-C4' energy: -59.007 flat angles C4'-P-C4' energy: -47.242 flat angles P-C4'-P energy: -23.231 tors. eta vs tors. theta energy: 2.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -259.625509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.625509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.625509 (E_RNA) where: Base-Base interactions energy: -100.295 where: short stacking energy: -86.701 Base-Backbone interact. energy: 0.642 local terms energy: -159.972950 where: bonds (distance) C4'-P energy: -51.322 bonds (distance) P-C4' energy: -56.684 flat angles C4'-P-C4' energy: -45.705 flat angles P-C4'-P energy: -18.955 tors. eta vs tors. theta energy: 12.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -1045.186506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.186506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.186506 (E_RNA) where: Base-Base interactions energy: -741.403 where: short stacking energy: -312.060 Base-Backbone interact. energy: -0.063 local terms energy: -303.719615 where: bonds (distance) C4'-P energy: -60.780 bonds (distance) P-C4' energy: -48.561 flat angles C4'-P-C4' energy: -76.439 flat angles P-C4'-P energy: -38.027 tors. eta vs tors. theta energy: -79.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -1021.078474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.078474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.078474 (E_RNA) where: Base-Base interactions energy: -690.714 where: short stacking energy: -299.538 Base-Backbone interact. energy: 0.251 local terms energy: -330.615625 where: bonds (distance) C4'-P energy: -63.259 bonds (distance) P-C4' energy: -63.798 flat angles C4'-P-C4' energy: -69.075 flat angles P-C4'-P energy: -43.705 tors. eta vs tors. theta energy: -90.778 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: 2 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -968.956052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.956052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.956052 (E_RNA) where: Base-Base interactions energy: -648.454 where: short stacking energy: -289.902 Base-Backbone interact. energy: -0.010 local terms energy: -320.491679 where: bonds (distance) C4'-P energy: -52.586 bonds (distance) P-C4' energy: -60.996 flat angles C4'-P-C4' energy: -72.047 flat angles P-C4'-P energy: -48.763 tors. eta vs tors. theta energy: -86.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -949.125816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.125816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.125816 (E_RNA) where: Base-Base interactions energy: -642.084 where: short stacking energy: -287.290 Base-Backbone interact. energy: -0.521 local terms energy: -306.521196 where: bonds (distance) C4'-P energy: -59.562 bonds (distance) P-C4' energy: -62.627 flat angles C4'-P-C4' energy: -71.406 flat angles P-C4'-P energy: -36.686 tors. eta vs tors. theta energy: -76.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -809.757237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.757237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.757237 (E_RNA) where: Base-Base interactions energy: -534.812 where: short stacking energy: -248.138 Base-Backbone interact. energy: -2.527 local terms energy: -272.418008 where: bonds (distance) C4'-P energy: -47.827 bonds (distance) P-C4' energy: -63.396 flat angles C4'-P-C4' energy: -59.155 flat angles P-C4'-P energy: -36.703 tors. eta vs tors. theta energy: -65.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -656.923503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.923503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.923503 (E_RNA) where: Base-Base interactions energy: -406.434 where: short stacking energy: -203.761 Base-Backbone interact. energy: -1.240 local terms energy: -249.249879 where: bonds (distance) C4'-P energy: -53.259 bonds (distance) P-C4' energy: -56.092 flat angles C4'-P-C4' energy: -58.342 flat angles P-C4'-P energy: -41.588 tors. eta vs tors. theta energy: -39.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -621.565772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.565772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.565772 (E_RNA) where: Base-Base interactions energy: -370.256 where: short stacking energy: -167.583 Base-Backbone interact. energy: -1.378 local terms energy: -249.932364 where: bonds (distance) C4'-P energy: -59.361 bonds (distance) P-C4' energy: -65.454 flat angles C4'-P-C4' energy: -55.183 flat angles P-C4'-P energy: -37.544 tors. eta vs tors. theta energy: -32.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -335.091267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.091267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.091267 (E_RNA) where: Base-Base interactions energy: -135.570 where: short stacking energy: -100.883 Base-Backbone interact. energy: -2.015 local terms energy: -197.505449 where: bonds (distance) C4'-P energy: -41.464 bonds (distance) P-C4' energy: -63.458 flat angles C4'-P-C4' energy: -50.953 flat angles P-C4'-P energy: -30.818 tors. eta vs tors. theta energy: -10.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -285.075819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.075819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.075819 (E_RNA) where: Base-Base interactions energy: -106.132 where: short stacking energy: -74.667 Base-Backbone interact. energy: -0.107 local terms energy: -178.837046 where: bonds (distance) C4'-P energy: -53.336 bonds (distance) P-C4' energy: -62.207 flat angles C4'-P-C4' energy: -49.157 flat angles P-C4'-P energy: -23.220 tors. eta vs tors. theta energy: 9.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -276.075384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.075384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.075384 (E_RNA) where: Base-Base interactions energy: -82.734 where: short stacking energy: -68.859 Base-Backbone interact. energy: 0.487 local terms energy: -193.828120 where: bonds (distance) C4'-P energy: -56.506 bonds (distance) P-C4' energy: -71.034 flat angles C4'-P-C4' energy: -35.056 flat angles P-C4'-P energy: -40.450 tors. eta vs tors. theta energy: 9.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -1062.913666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.913666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.913666 (E_RNA) where: Base-Base interactions energy: -718.563 where: short stacking energy: -330.082 Base-Backbone interact. energy: -1.174 local terms energy: -343.176591 where: bonds (distance) C4'-P energy: -67.013 bonds (distance) P-C4' energy: -68.265 flat angles C4'-P-C4' energy: -71.175 flat angles P-C4'-P energy: -39.503 tors. eta vs tors. theta energy: -97.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -1018.722359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.722359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.722359 (E_RNA) where: Base-Base interactions energy: -702.742 where: short stacking energy: -277.800 Base-Backbone interact. energy: -1.482 local terms energy: -314.498583 where: bonds (distance) C4'-P energy: -52.251 bonds (distance) P-C4' energy: -64.247 flat angles C4'-P-C4' energy: -71.329 flat angles P-C4'-P energy: -51.319 tors. eta vs tors. theta energy: -75.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -968.132919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.132919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.132919 (E_RNA) where: Base-Base interactions energy: -648.929 where: short stacking energy: -291.648 Base-Backbone interact. energy: 0.699 local terms energy: -319.902722 where: bonds (distance) C4'-P energy: -66.870 bonds (distance) P-C4' energy: -54.920 flat angles C4'-P-C4' energy: -69.582 flat angles P-C4'-P energy: -49.942 tors. eta vs tors. theta energy: -78.589 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: 8 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -942.052899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.052899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.052899 (E_RNA) where: Base-Base interactions energy: -637.552 where: short stacking energy: -300.969 Base-Backbone interact. energy: 0.492 local terms energy: -304.993479 where: bonds (distance) C4'-P energy: -58.373 bonds (distance) P-C4' energy: -63.213 flat angles C4'-P-C4' energy: -66.544 flat angles P-C4'-P energy: -25.471 tors. eta vs tors. theta energy: -91.392 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: 7 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -787.153985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.153985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.153985 (E_RNA) where: Base-Base interactions energy: -514.219 where: short stacking energy: -233.360 Base-Backbone interact. energy: 1.260 local terms energy: -274.194951 where: bonds (distance) C4'-P energy: -64.906 bonds (distance) P-C4' energy: -64.021 flat angles C4'-P-C4' energy: -54.345 flat angles P-C4'-P energy: -31.366 tors. eta vs tors. theta energy: -59.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -599.453511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.453511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.453511 (E_RNA) where: Base-Base interactions energy: -372.776 where: short stacking energy: -173.395 Base-Backbone interact. energy: 8.053 local terms energy: -234.730164 where: bonds (distance) C4'-P energy: -53.865 bonds (distance) P-C4' energy: -58.845 flat angles C4'-P-C4' energy: -50.487 flat angles P-C4'-P energy: -38.395 tors. eta vs tors. theta energy: -33.138 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: 7, replica: 6 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -669.916898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.916898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.916898 (E_RNA) where: Base-Base interactions energy: -429.084 where: short stacking energy: -191.369 Base-Backbone interact. energy: -1.802 local terms energy: -239.031370 where: bonds (distance) C4'-P energy: -55.563 bonds (distance) P-C4' energy: -51.362 flat angles C4'-P-C4' energy: -57.364 flat angles P-C4'-P energy: -32.932 tors. eta vs tors. theta energy: -41.810 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: 40 Temperature: 1.250000 Total energy: -396.268009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.268009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.268009 (E_RNA) where: Base-Base interactions energy: -226.034 where: short stacking energy: -143.470 Base-Backbone interact. energy: -0.055 local terms energy: -170.179600 where: bonds (distance) C4'-P energy: -57.245 bonds (distance) P-C4' energy: -36.477 flat angles C4'-P-C4' energy: -44.629 flat angles P-C4'-P energy: -22.531 tors. eta vs tors. theta energy: -9.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -294.374984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.374984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.374984 (E_RNA) where: Base-Base interactions energy: -108.020 where: short stacking energy: -75.795 Base-Backbone interact. energy: -1.625 local terms energy: -184.729808 where: bonds (distance) C4'-P energy: -46.428 bonds (distance) P-C4' energy: -55.872 flat angles C4'-P-C4' energy: -50.023 flat angles P-C4'-P energy: -24.979 tors. eta vs tors. theta energy: -7.429 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: 10, replica: 4 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -276.772441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.772441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.772441 (E_RNA) where: Base-Base interactions energy: -94.218 where: short stacking energy: -86.133 Base-Backbone interact. energy: -1.589 local terms energy: -180.965514 where: bonds (distance) C4'-P energy: -33.963 bonds (distance) P-C4' energy: -70.262 flat angles C4'-P-C4' energy: -52.364 flat angles P-C4'-P energy: -25.054 tors. eta vs tors. theta energy: 0.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -1056.470273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.470273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.470273 (E_RNA) where: Base-Base interactions energy: -703.300 where: short stacking energy: -302.874 Base-Backbone interact. energy: -2.399 local terms energy: -350.771111 where: bonds (distance) C4'-P energy: -61.885 bonds (distance) P-C4' energy: -71.430 flat angles C4'-P-C4' energy: -73.453 flat angles P-C4'-P energy: -50.817 tors. eta vs tors. theta energy: -93.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -1012.534648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.534648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.534648 (E_RNA) where: Base-Base interactions energy: -718.670 where: short stacking energy: -296.820 Base-Backbone interact. energy: 0.035 local terms energy: -293.900268 where: bonds (distance) C4'-P energy: -56.995 bonds (distance) P-C4' energy: -65.389 flat angles C4'-P-C4' energy: -59.143 flat angles P-C4'-P energy: -40.725 tors. eta vs tors. theta energy: -71.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -936.464106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.464106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.464106 (E_RNA) where: Base-Base interactions energy: -627.921 where: short stacking energy: -294.881 Base-Backbone interact. energy: -3.465 local terms energy: -305.078235 where: bonds (distance) C4'-P energy: -66.002 bonds (distance) P-C4' energy: -53.701 flat angles C4'-P-C4' energy: -64.642 flat angles P-C4'-P energy: -39.747 tors. eta vs tors. theta energy: -80.986 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: 8 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -936.297233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.297233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.297233 (E_RNA) where: Base-Base interactions energy: -637.053 where: short stacking energy: -275.550 Base-Backbone interact. energy: 0.349 local terms energy: -299.593492 where: bonds (distance) C4'-P energy: -54.424 bonds (distance) P-C4' energy: -52.339 flat angles C4'-P-C4' energy: -70.650 flat angles P-C4'-P energy: -37.009 tors. eta vs tors. theta energy: -85.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -789.081518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.081518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.081518 (E_RNA) where: Base-Base interactions energy: -511.599 where: short stacking energy: -236.851 Base-Backbone interact. energy: -0.550 local terms energy: -276.932669 where: bonds (distance) C4'-P energy: -58.264 bonds (distance) P-C4' energy: -63.050 flat angles C4'-P-C4' energy: -62.517 flat angles P-C4'-P energy: -30.320 tors. eta vs tors. theta energy: -62.782 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: 6, replica: 6 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -748.037600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.037600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.037600 (E_RNA) where: Base-Base interactions energy: -486.727 where: short stacking energy: -209.400 Base-Backbone interact. energy: -1.620 local terms energy: -259.691296 where: bonds (distance) C4'-P energy: -50.191 bonds (distance) P-C4' energy: -58.152 flat angles C4'-P-C4' energy: -60.876 flat angles P-C4'-P energy: -42.208 tors. eta vs tors. theta energy: -48.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -609.014677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.014677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.014677 (E_RNA) where: Base-Base interactions energy: -364.766 where: short stacking energy: -190.186 Base-Backbone interact. energy: -0.313 local terms energy: -243.936638 where: bonds (distance) C4'-P energy: -51.848 bonds (distance) P-C4' energy: -56.538 flat angles C4'-P-C4' energy: -53.999 flat angles P-C4'-P energy: -40.337 tors. eta vs tors. theta energy: -41.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -394.592030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.592030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.592030 (E_RNA) where: Base-Base interactions energy: -182.435 where: short stacking energy: -117.375 Base-Backbone interact. energy: 0.520 local terms energy: -212.676742 where: bonds (distance) C4'-P energy: -55.954 bonds (distance) P-C4' energy: -61.874 flat angles C4'-P-C4' energy: -52.784 flat angles P-C4'-P energy: -33.794 tors. eta vs tors. theta energy: -8.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -280.613545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.613545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.613545 (E_RNA) where: Base-Base interactions energy: -125.736 where: short stacking energy: -90.500 Base-Backbone interact. energy: 0.221 local terms energy: -155.099064 where: bonds (distance) C4'-P energy: -49.179 bonds (distance) P-C4' energy: -49.051 flat angles C4'-P-C4' energy: -38.813 flat angles P-C4'-P energy: -25.783 tors. eta vs tors. theta energy: 7.727 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: 4 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -245.903986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -245.903986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -245.903986 (E_RNA) where: Base-Base interactions energy: -88.148 where: short stacking energy: -76.947 Base-Backbone interact. energy: 5.672 local terms energy: -163.428272 where: bonds (distance) C4'-P energy: -53.811 bonds (distance) P-C4' energy: -45.819 flat angles C4'-P-C4' energy: -49.433 flat angles P-C4'-P energy: -28.705 tors. eta vs tors. theta energy: 14.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -1040.896822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.896822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.896822 (E_RNA) where: Base-Base interactions energy: -725.427 where: short stacking energy: -288.830 Base-Backbone interact. energy: -1.880 local terms energy: -313.590713 where: bonds (distance) C4'-P energy: -60.078 bonds (distance) P-C4' energy: -65.805 flat angles C4'-P-C4' energy: -72.965 flat angles P-C4'-P energy: -43.814 tors. eta vs tors. theta energy: -70.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -1055.662227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.662227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.662227 (E_RNA) where: Base-Base interactions energy: -709.988 where: short stacking energy: -314.714 Base-Backbone interact. energy: -4.831 local terms energy: -340.842976 where: bonds (distance) C4'-P energy: -65.563 bonds (distance) P-C4' energy: -61.708 flat angles C4'-P-C4' energy: -68.285 flat angles P-C4'-P energy: -48.585 tors. eta vs tors. theta energy: -96.703 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: 8 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -1003.853750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.853750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.853750 (E_RNA) where: Base-Base interactions energy: -690.062 where: short stacking energy: -315.857 Base-Backbone interact. energy: 0.215 local terms energy: -314.007259 where: bonds (distance) C4'-P energy: -51.308 bonds (distance) P-C4' energy: -46.295 flat angles C4'-P-C4' energy: -78.560 flat angles P-C4'-P energy: -45.980 tors. eta vs tors. theta energy: -91.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -920.164404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.164404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.164404 (E_RNA) where: Base-Base interactions energy: -614.446 where: short stacking energy: -272.323 Base-Backbone interact. energy: -1.695 local terms energy: -304.024157 where: bonds (distance) C4'-P energy: -64.762 bonds (distance) P-C4' energy: -48.858 flat angles C4'-P-C4' energy: -65.935 flat angles P-C4'-P energy: -46.418 tors. eta vs tors. theta energy: -78.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -795.216069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.216069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.216069 (E_RNA) where: Base-Base interactions energy: -520.511 where: short stacking energy: -218.963 Base-Backbone interact. energy: 0.583 local terms energy: -275.288320 where: bonds (distance) C4'-P energy: -58.311 bonds (distance) P-C4' energy: -58.781 flat angles C4'-P-C4' energy: -66.153 flat angles P-C4'-P energy: -39.047 tors. eta vs tors. theta energy: -52.997 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: 6 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -702.131699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.131699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.131699 (E_RNA) where: Base-Base interactions energy: -469.612 where: short stacking energy: -197.136 Base-Backbone interact. energy: 1.666 local terms energy: -234.185737 where: bonds (distance) C4'-P energy: -53.195 bonds (distance) P-C4' energy: -62.669 flat angles C4'-P-C4' energy: -58.380 flat angles P-C4'-P energy: -27.363 tors. eta vs tors. theta energy: -32.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -614.840340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.840340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.840340 (E_RNA) where: Base-Base interactions energy: -368.880 where: short stacking energy: -187.424 Base-Backbone interact. energy: 4.550 local terms energy: -250.510277 where: bonds (distance) C4'-P energy: -57.317 bonds (distance) P-C4' energy: -65.140 flat angles C4'-P-C4' energy: -58.582 flat angles P-C4'-P energy: -30.882 tors. eta vs tors. theta energy: -38.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -393.639191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.639191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.639191 (E_RNA) where: Base-Base interactions energy: -195.583 where: short stacking energy: -119.683 Base-Backbone interact. energy: -0.427 local terms energy: -197.629697 where: bonds (distance) C4'-P energy: -49.569 bonds (distance) P-C4' energy: -57.914 flat angles C4'-P-C4' energy: -41.672 flat angles P-C4'-P energy: -36.477 tors. eta vs tors. theta energy: -11.998 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: 4 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -282.269065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.269065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.269065 (E_RNA) where: Base-Base interactions energy: -114.569 where: short stacking energy: -96.990 Base-Backbone interact. energy: 0.823 local terms energy: -168.522980 where: bonds (distance) C4'-P energy: -51.678 bonds (distance) P-C4' energy: -52.059 flat angles C4'-P-C4' energy: -32.987 flat angles P-C4'-P energy: -35.690 tors. eta vs tors. theta energy: 3.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -280.178193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.178193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.178193 (E_RNA) where: Base-Base interactions energy: -90.253 where: short stacking energy: -78.872 Base-Backbone interact. energy: 0.377 local terms energy: -190.302517 where: bonds (distance) C4'-P energy: -55.668 bonds (distance) P-C4' energy: -55.534 flat angles C4'-P-C4' energy: -39.397 flat angles P-C4'-P energy: -35.338 tors. eta vs tors. theta energy: -4.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -1057.649967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.649967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.649967 (E_RNA) where: Base-Base interactions energy: -729.508 where: short stacking energy: -313.838 Base-Backbone interact. energy: 1.880 local terms energy: -330.022000 where: bonds (distance) C4'-P energy: -61.551 bonds (distance) P-C4' energy: -63.769 flat angles C4'-P-C4' energy: -71.549 flat angles P-C4'-P energy: -50.287 tors. eta vs tors. theta energy: -82.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -1028.004188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.004188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.004188 (E_RNA) where: Base-Base interactions energy: -696.789 where: short stacking energy: -296.851 Base-Backbone interact. energy: -1.264 local terms energy: -329.951472 where: bonds (distance) C4'-P energy: -56.082 bonds (distance) P-C4' energy: -66.471 flat angles C4'-P-C4' energy: -75.556 flat angles P-C4'-P energy: -44.408 tors. eta vs tors. theta energy: -87.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -1027.809672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.809672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.809672 (E_RNA) where: Base-Base interactions energy: -702.725 where: short stacking energy: -295.920 Base-Backbone interact. energy: -2.139 local terms energy: -322.945688 where: bonds (distance) C4'-P energy: -49.805 bonds (distance) P-C4' energy: -65.703 flat angles C4'-P-C4' energy: -67.530 flat angles P-C4'-P energy: -52.962 tors. eta vs tors. theta energy: -86.947 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: 2 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -942.344988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.344988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.344988 (E_RNA) where: Base-Base interactions energy: -637.890 where: short stacking energy: -274.512 Base-Backbone interact. energy: 0.251 local terms energy: -304.706388 where: bonds (distance) C4'-P energy: -62.849 bonds (distance) P-C4' energy: -61.228 flat angles C4'-P-C4' energy: -54.112 flat angles P-C4'-P energy: -51.624 tors. eta vs tors. theta energy: -74.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -851.369329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.369329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.369329 (E_RNA) where: Base-Base interactions energy: -574.387 where: short stacking energy: -241.038 Base-Backbone interact. energy: 0.343 local terms energy: -277.324767 where: bonds (distance) C4'-P energy: -52.726 bonds (distance) P-C4' energy: -60.182 flat angles C4'-P-C4' energy: -65.800 flat angles P-C4'-P energy: -33.929 tors. eta vs tors. theta energy: -64.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -716.042952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.042952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.042952 (E_RNA) where: Base-Base interactions energy: -466.058 where: short stacking energy: -191.418 Base-Backbone interact. energy: 0.104 local terms energy: -250.088756 where: bonds (distance) C4'-P energy: -46.770 bonds (distance) P-C4' energy: -57.686 flat angles C4'-P-C4' energy: -68.163 flat angles P-C4'-P energy: -35.195 tors. eta vs tors. theta energy: -42.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -623.406137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.406137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.406137 (E_RNA) where: Base-Base interactions energy: -371.412 where: short stacking energy: -174.165 Base-Backbone interact. energy: 0.726 local terms energy: -252.720247 where: bonds (distance) C4'-P energy: -51.183 bonds (distance) P-C4' energy: -58.241 flat angles C4'-P-C4' energy: -66.552 flat angles P-C4'-P energy: -32.088 tors. eta vs tors. theta energy: -44.656 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: 43 Temperature: 1.250000 Total energy: -372.956854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.956854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.956854 (E_RNA) where: Base-Base interactions energy: -175.335 where: short stacking energy: -106.893 Base-Backbone interact. energy: -0.111 local terms energy: -197.511122 where: bonds (distance) C4'-P energy: -46.526 bonds (distance) P-C4' energy: -58.595 flat angles C4'-P-C4' energy: -57.073 flat angles P-C4'-P energy: -24.038 tors. eta vs tors. theta energy: -11.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -301.875272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.875272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.875272 (E_RNA) where: Base-Base interactions energy: -115.865 where: short stacking energy: -98.829 Base-Backbone interact. energy: 0.165 local terms energy: -186.175446 where: bonds (distance) C4'-P energy: -57.202 bonds (distance) P-C4' energy: -58.436 flat angles C4'-P-C4' energy: -45.597 flat angles P-C4'-P energy: -27.120 tors. eta vs tors. theta energy: 2.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -321.465032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.465032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.465032 (E_RNA) where: Base-Base interactions energy: -147.766 where: short stacking energy: -97.439 Base-Backbone interact. energy: -1.957 local terms energy: -171.741358 where: bonds (distance) C4'-P energy: -43.831 bonds (distance) P-C4' energy: -57.760 flat angles C4'-P-C4' energy: -41.847 flat angles P-C4'-P energy: -27.559 tors. eta vs tors. theta energy: -0.744 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: 5 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -1049.270162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.270162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.270162 (E_RNA) where: Base-Base interactions energy: -722.057 where: short stacking energy: -281.844 Base-Backbone interact. energy: -2.850 local terms energy: -324.363631 where: bonds (distance) C4'-P energy: -66.369 bonds (distance) P-C4' energy: -66.819 flat angles C4'-P-C4' energy: -64.501 flat angles P-C4'-P energy: -49.430 tors. eta vs tors. theta energy: -77.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -1035.780772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.780772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.780772 (E_RNA) where: Base-Base interactions energy: -699.239 where: short stacking energy: -298.989 Base-Backbone interact. energy: -1.214 local terms energy: -335.328383 where: bonds (distance) C4'-P energy: -60.962 bonds (distance) P-C4' energy: -59.494 flat angles C4'-P-C4' energy: -73.587 flat angles P-C4'-P energy: -47.059 tors. eta vs tors. theta energy: -94.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -1014.229311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.229311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.229311 (E_RNA) where: Base-Base interactions energy: -689.796 where: short stacking energy: -310.206 Base-Backbone interact. energy: -0.280 local terms energy: -324.153034 where: bonds (distance) C4'-P energy: -47.541 bonds (distance) P-C4' energy: -71.295 flat angles C4'-P-C4' energy: -69.268 flat angles P-C4'-P energy: -43.466 tors. eta vs tors. theta energy: -92.583 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: 44 Temperature: 1.050000 Total energy: -940.666964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.666964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.666964 (E_RNA) where: Base-Base interactions energy: -653.755 where: short stacking energy: -274.688 Base-Backbone interact. energy: -4.180 local terms energy: -282.731950 where: bonds (distance) C4'-P energy: -47.282 bonds (distance) P-C4' energy: -58.457 flat angles C4'-P-C4' energy: -57.688 flat angles P-C4'-P energy: -43.726 tors. eta vs tors. theta energy: -75.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -838.060599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.060599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.060599 (E_RNA) where: Base-Base interactions energy: -582.744 where: short stacking energy: -252.629 Base-Backbone interact. energy: -1.264 local terms energy: -254.053137 where: bonds (distance) C4'-P energy: -52.143 bonds (distance) P-C4' energy: -57.902 flat angles C4'-P-C4' energy: -42.814 flat angles P-C4'-P energy: -34.592 tors. eta vs tors. theta energy: -66.603 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: 6 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -729.368163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.368163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.368163 (E_RNA) where: Base-Base interactions energy: -469.175 where: short stacking energy: -228.650 Base-Backbone interact. energy: -0.930 local terms energy: -259.262797 where: bonds (distance) C4'-P energy: -51.825 bonds (distance) P-C4' energy: -60.433 flat angles C4'-P-C4' energy: -56.433 flat angles P-C4'-P energy: -33.543 tors. eta vs tors. theta energy: -57.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -618.431451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.431451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.431451 (E_RNA) where: Base-Base interactions energy: -381.463 where: short stacking energy: -185.715 Base-Backbone interact. energy: -0.596 local terms energy: -236.372885 where: bonds (distance) C4'-P energy: -53.410 bonds (distance) P-C4' energy: -59.951 flat angles C4'-P-C4' energy: -45.783 flat angles P-C4'-P energy: -33.998 tors. eta vs tors. theta energy: -43.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -388.299811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.299811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.299811 (E_RNA) where: Base-Base interactions energy: -186.966 where: short stacking energy: -107.673 Base-Backbone interact. energy: -2.485 local terms energy: -198.849616 where: bonds (distance) C4'-P energy: -50.593 bonds (distance) P-C4' energy: -51.409 flat angles C4'-P-C4' energy: -56.487 flat angles P-C4'-P energy: -31.580 tors. eta vs tors. theta energy: -8.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -342.452119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.452119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.452119 (E_RNA) where: Base-Base interactions energy: -162.409 where: short stacking energy: -105.575 Base-Backbone interact. energy: -1.149 local terms energy: -178.893730 where: bonds (distance) C4'-P energy: -44.958 bonds (distance) P-C4' energy: -49.264 flat angles C4'-P-C4' energy: -51.669 flat angles P-C4'-P energy: -18.848 tors. eta vs tors. theta energy: -14.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -260.858624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.858624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.858624 (E_RNA) where: Base-Base interactions energy: -92.220 where: short stacking energy: -64.745 Base-Backbone interact. energy: -0.256 local terms energy: -168.382608 where: bonds (distance) C4'-P energy: -49.859 bonds (distance) P-C4' energy: -55.237 flat angles C4'-P-C4' energy: -56.602 flat angles P-C4'-P energy: -11.391 tors. eta vs tors. theta energy: 4.706 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: 45 Temperature: 0.900000 Total energy: -1055.330558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.330558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.330558 (E_RNA) where: Base-Base interactions energy: -733.411 where: short stacking energy: -307.742 Base-Backbone interact. energy: 0.035 local terms energy: -321.954470 where: bonds (distance) C4'-P energy: -64.059 bonds (distance) P-C4' energy: -65.093 flat angles C4'-P-C4' energy: -66.820 flat angles P-C4'-P energy: -44.028 tors. eta vs tors. theta energy: -81.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -1036.895567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.895567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.895567 (E_RNA) where: Base-Base interactions energy: -692.249 where: short stacking energy: -315.778 Base-Backbone interact. energy: -2.505 local terms energy: -342.141367 where: bonds (distance) C4'-P energy: -66.413 bonds (distance) P-C4' energy: -61.885 flat angles C4'-P-C4' energy: -65.427 flat angles P-C4'-P energy: -52.053 tors. eta vs tors. theta energy: -96.363 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: 8 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -1004.295736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.295736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.295736 (E_RNA) where: Base-Base interactions energy: -674.958 where: short stacking energy: -297.026 Base-Backbone interact. energy: 0.179 local terms energy: -329.516978 where: bonds (distance) C4'-P energy: -57.488 bonds (distance) P-C4' energy: -64.133 flat angles C4'-P-C4' energy: -68.222 flat angles P-C4'-P energy: -49.456 tors. eta vs tors. theta energy: -90.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -934.071381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.071381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.071381 (E_RNA) where: Base-Base interactions energy: -621.053 where: short stacking energy: -268.515 Base-Backbone interact. energy: -3.073 local terms energy: -309.944635 where: bonds (distance) C4'-P energy: -59.520 bonds (distance) P-C4' energy: -63.891 flat angles C4'-P-C4' energy: -65.790 flat angles P-C4'-P energy: -40.286 tors. eta vs tors. theta energy: -80.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -857.528998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.528998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.528998 (E_RNA) where: Base-Base interactions energy: -576.586 where: short stacking energy: -229.379 Base-Backbone interact. energy: -0.261 local terms energy: -280.682531 where: bonds (distance) C4'-P energy: -59.775 bonds (distance) P-C4' energy: -54.692 flat angles C4'-P-C4' energy: -66.696 flat angles P-C4'-P energy: -36.251 tors. eta vs tors. theta energy: -63.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -723.357929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.357929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.357929 (E_RNA) where: Base-Base interactions energy: -456.716 where: short stacking energy: -197.561 Base-Backbone interact. energy: 0.804 local terms energy: -267.445446 where: bonds (distance) C4'-P energy: -63.070 bonds (distance) P-C4' energy: -62.750 flat angles C4'-P-C4' energy: -53.798 flat angles P-C4'-P energy: -42.575 tors. eta vs tors. theta energy: -45.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -628.440939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.440939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.440939 (E_RNA) where: Base-Base interactions energy: -365.108 where: short stacking energy: -195.877 Base-Backbone interact. energy: -0.788 local terms energy: -262.544986 where: bonds (distance) C4'-P energy: -56.035 bonds (distance) P-C4' energy: -52.472 flat angles C4'-P-C4' energy: -65.305 flat angles P-C4'-P energy: -48.202 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: 8, replica: 10 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -343.692576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.692576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.692576 (E_RNA) where: Base-Base interactions energy: -143.985 where: short stacking energy: -99.493 Base-Backbone interact. energy: -1.792 local terms energy: -197.915475 where: bonds (distance) C4'-P energy: -51.316 bonds (distance) P-C4' energy: -63.015 flat angles C4'-P-C4' energy: -53.070 flat angles P-C4'-P energy: -24.064 tors. eta vs tors. theta energy: -6.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -346.943408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.943408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.943408 (E_RNA) where: Base-Base interactions energy: -152.580 where: short stacking energy: -110.516 Base-Backbone interact. energy: -0.636 local terms energy: -193.726988 where: bonds (distance) C4'-P energy: -50.917 bonds (distance) P-C4' energy: -59.840 flat angles C4'-P-C4' energy: -46.277 flat angles P-C4'-P energy: -23.388 tors. eta vs tors. theta energy: -13.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -260.486755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.486755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.486755 (E_RNA) where: Base-Base interactions energy: -89.548 where: short stacking energy: -69.469 Base-Backbone interact. energy: -1.646 local terms energy: -169.292453 where: bonds (distance) C4'-P energy: -52.975 bonds (distance) P-C4' energy: -44.409 flat angles C4'-P-C4' energy: -45.882 flat angles P-C4'-P energy: -35.065 tors. eta vs tors. theta energy: 9.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -1043.552607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.552607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.552607 (E_RNA) where: Base-Base interactions energy: -713.140 where: short stacking energy: -305.918 Base-Backbone interact. energy: 1.044 local terms energy: -331.456882 where: bonds (distance) C4'-P energy: -64.112 bonds (distance) P-C4' energy: -66.987 flat angles C4'-P-C4' energy: -73.855 flat angles P-C4'-P energy: -41.249 tors. eta vs tors. theta energy: -85.253 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: 9 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -1042.200735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.200735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.200735 (E_RNA) where: Base-Base interactions energy: -710.174 where: short stacking energy: -313.255 Base-Backbone interact. energy: -0.619 local terms energy: -331.407217 where: bonds (distance) C4'-P energy: -64.637 bonds (distance) P-C4' energy: -60.946 flat angles C4'-P-C4' energy: -65.633 flat angles P-C4'-P energy: -48.927 tors. eta vs tors. theta energy: -91.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -980.454156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.454156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.454156 (E_RNA) where: Base-Base interactions energy: -665.248 where: short stacking energy: -303.047 Base-Backbone interact. energy: -3.952 local terms energy: -311.254458 where: bonds (distance) C4'-P energy: -66.870 bonds (distance) P-C4' energy: -58.268 flat angles C4'-P-C4' energy: -64.500 flat angles P-C4'-P energy: -38.090 tors. eta vs tors. theta energy: -83.527 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: 2 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -930.920106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.920106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.920106 (E_RNA) where: Base-Base interactions energy: -637.980 where: short stacking energy: -286.829 Base-Backbone interact. energy: 0.246 local terms energy: -293.185602 where: bonds (distance) C4'-P energy: -53.911 bonds (distance) P-C4' energy: -60.579 flat angles C4'-P-C4' energy: -63.948 flat angles P-C4'-P energy: -35.254 tors. eta vs tors. theta energy: -79.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -815.170579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.170579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.170579 (E_RNA) where: Base-Base interactions energy: -545.223 where: short stacking energy: -245.674 Base-Backbone interact. energy: -2.599 local terms energy: -267.348643 where: bonds (distance) C4'-P energy: -54.887 bonds (distance) P-C4' energy: -52.791 flat angles C4'-P-C4' energy: -65.711 flat angles P-C4'-P energy: -32.513 tors. eta vs tors. theta energy: -61.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -767.825709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.825709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.825709 (E_RNA) where: Base-Base interactions energy: -517.777 where: short stacking energy: -227.610 Base-Backbone interact. energy: -2.989 local terms energy: -247.060267 where: bonds (distance) C4'-P energy: -52.978 bonds (distance) P-C4' energy: -55.953 flat angles C4'-P-C4' energy: -58.874 flat angles P-C4'-P energy: -30.338 tors. eta vs tors. theta energy: -48.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -592.465937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.465937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.465937 (E_RNA) where: Base-Base interactions energy: -343.243 where: short stacking energy: -153.157 Base-Backbone interact. energy: 0.670 local terms energy: -249.892718 where: bonds (distance) C4'-P energy: -55.000 bonds (distance) P-C4' energy: -64.653 flat angles C4'-P-C4' energy: -57.021 flat angles P-C4'-P energy: -49.262 tors. eta vs tors. theta energy: -23.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -305.047866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.047866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.047866 (E_RNA) where: Base-Base interactions energy: -125.548 where: short stacking energy: -88.128 Base-Backbone interact. energy: 9.726 local terms energy: -189.226173 where: bonds (distance) C4'-P energy: -49.439 bonds (distance) P-C4' energy: -62.761 flat angles C4'-P-C4' energy: -63.677 flat angles P-C4'-P energy: -20.759 tors. eta vs tors. theta energy: 7.409 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: 1 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -324.922797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.922797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.922797 (E_RNA) where: Base-Base interactions energy: -174.833 where: short stacking energy: -97.140 Base-Backbone interact. energy: -1.418 local terms energy: -148.671300 where: bonds (distance) C4'-P energy: -38.876 bonds (distance) P-C4' energy: -51.356 flat angles C4'-P-C4' energy: -53.348 flat angles P-C4'-P energy: -21.733 tors. eta vs tors. theta energy: 16.641 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: 4 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -330.333220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.333220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.333220 (E_RNA) where: Base-Base interactions energy: -158.753 where: short stacking energy: -95.408 Base-Backbone interact. energy: 1.448 local terms energy: -173.028822 where: bonds (distance) C4'-P energy: -39.557 bonds (distance) P-C4' energy: -56.162 flat angles C4'-P-C4' energy: -42.191 flat angles P-C4'-P energy: -29.330 tors. eta vs tors. theta energy: -5.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -1049.597273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.597273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.597273 (E_RNA) where: Base-Base interactions energy: -722.031 where: short stacking energy: -300.702 Base-Backbone interact. energy: -2.200 local terms energy: -325.366597 where: bonds (distance) C4'-P energy: -64.083 bonds (distance) P-C4' energy: -62.032 flat angles C4'-P-C4' energy: -69.056 flat angles P-C4'-P energy: -50.639 tors. eta vs tors. theta energy: -79.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -1038.281446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.281446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.281446 (E_RNA) where: Base-Base interactions energy: -692.654 where: short stacking energy: -304.999 Base-Backbone interact. energy: -2.740 local terms energy: -342.886891 where: bonds (distance) C4'-P energy: -71.010 bonds (distance) P-C4' energy: -65.289 flat angles C4'-P-C4' energy: -68.979 flat angles P-C4'-P energy: -41.037 tors. eta vs tors. theta energy: -96.571 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: 3, replica: 8 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -1006.385766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.385766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.385766 (E_RNA) where: Base-Base interactions energy: -693.746 where: short stacking energy: -303.613 Base-Backbone interact. energy: -0.589 local terms energy: -312.050702 where: bonds (distance) C4'-P energy: -53.779 bonds (distance) P-C4' energy: -58.785 flat angles C4'-P-C4' energy: -63.931 flat angles P-C4'-P energy: -46.725 tors. eta vs tors. theta energy: -88.832 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: 2 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -958.738928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.738928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.738928 (E_RNA) where: Base-Base interactions energy: -658.312 where: short stacking energy: -295.768 Base-Backbone interact. energy: -0.837 local terms energy: -299.590047 where: bonds (distance) C4'-P energy: -51.814 bonds (distance) P-C4' energy: -52.169 flat angles C4'-P-C4' energy: -64.382 flat angles P-C4'-P energy: -42.188 tors. eta vs tors. theta energy: -89.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -837.583105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.583105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.583105 (E_RNA) where: Base-Base interactions energy: -537.551 where: short stacking energy: -229.441 Base-Backbone interact. energy: -1.567 local terms energy: -298.464614 where: bonds (distance) C4'-P energy: -64.025 bonds (distance) P-C4' energy: -70.508 flat angles C4'-P-C4' energy: -61.236 flat angles P-C4'-P energy: -44.769 tors. eta vs tors. theta energy: -57.927 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: 6, replica: 6 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -783.512652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.512652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.512652 (E_RNA) where: Base-Base interactions energy: -516.759 where: short stacking energy: -203.719 Base-Backbone interact. energy: -1.242 local terms energy: -265.511280 where: bonds (distance) C4'-P energy: -65.368 bonds (distance) P-C4' energy: -64.164 flat angles C4'-P-C4' energy: -53.205 flat angles P-C4'-P energy: -40.308 tors. eta vs tors. theta energy: -42.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -600.723222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.723222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.723222 (E_RNA) where: Base-Base interactions energy: -362.563 where: short stacking energy: -163.687 Base-Backbone interact. energy: 0.631 local terms energy: -238.791320 where: bonds (distance) C4'-P energy: -60.636 bonds (distance) P-C4' energy: -54.835 flat angles C4'-P-C4' energy: -59.855 flat angles P-C4'-P energy: -24.616 tors. eta vs tors. theta energy: -38.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -360.912284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.912284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.912284 (E_RNA) where: Base-Base interactions energy: -177.528 where: short stacking energy: -102.681 Base-Backbone interact. energy: 1.322 local terms energy: -184.706525 where: bonds (distance) C4'-P energy: -56.721 bonds (distance) P-C4' energy: -51.537 flat angles C4'-P-C4' energy: -58.900 flat angles P-C4'-P energy: -24.745 tors. eta vs tors. theta energy: 7.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -288.099880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.099880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.099880 (E_RNA) where: Base-Base interactions energy: -113.765 where: short stacking energy: -73.582 Base-Backbone interact. energy: -2.068 local terms energy: -172.267601 where: bonds (distance) C4'-P energy: -53.884 bonds (distance) P-C4' energy: -48.118 flat angles C4'-P-C4' energy: -56.487 flat angles P-C4'-P energy: -26.285 tors. eta vs tors. theta energy: 12.507 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: 4 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -313.761776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.761776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.761776 (E_RNA) where: Base-Base interactions energy: -149.347 where: short stacking energy: -103.787 Base-Backbone interact. energy: -2.122 local terms energy: -162.293046 where: bonds (distance) C4'-P energy: -41.856 bonds (distance) P-C4' energy: -54.951 flat angles C4'-P-C4' energy: -28.358 flat angles P-C4'-P energy: -37.651 tors. eta vs tors. theta energy: 0.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -1059.876283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.876283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.876283 (E_RNA) where: Base-Base interactions energy: -735.846 where: short stacking energy: -295.620 Base-Backbone interact. energy: 0.144 local terms energy: -324.173793 where: bonds (distance) C4'-P energy: -59.632 bonds (distance) P-C4' energy: -69.209 flat angles C4'-P-C4' energy: -66.139 flat angles P-C4'-P energy: -45.638 tors. eta vs tors. theta energy: -83.556 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: 9 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -1014.004224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.004224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.004224 (E_RNA) where: Base-Base interactions energy: -683.152 where: short stacking energy: -306.518 Base-Backbone interact. energy: -5.647 local terms energy: -325.205575 where: bonds (distance) C4'-P energy: -55.855 bonds (distance) P-C4' energy: -63.788 flat angles C4'-P-C4' energy: -66.667 flat angles P-C4'-P energy: -49.126 tors. eta vs tors. theta energy: -89.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -962.964733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.964733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.964733 (E_RNA) where: Base-Base interactions energy: -637.277 where: short stacking energy: -279.566 Base-Backbone interact. energy: -1.155 local terms energy: -324.532929 where: bonds (distance) C4'-P energy: -56.680 bonds (distance) P-C4' energy: -64.628 flat angles C4'-P-C4' energy: -72.482 flat angles P-C4'-P energy: -47.861 tors. eta vs tors. theta energy: -82.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -964.169274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.169274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.169274 (E_RNA) where: Base-Base interactions energy: -629.767 where: short stacking energy: -280.474 Base-Backbone interact. energy: -2.639 local terms energy: -331.763340 where: bonds (distance) C4'-P energy: -61.529 bonds (distance) P-C4' energy: -64.283 flat angles C4'-P-C4' energy: -68.697 flat angles P-C4'-P energy: -48.257 tors. eta vs tors. theta energy: -88.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -840.482047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.482047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.482047 (E_RNA) where: Base-Base interactions energy: -551.824 where: short stacking energy: -247.339 Base-Backbone interact. energy: -0.626 local terms energy: -288.031711 where: bonds (distance) C4'-P energy: -48.166 bonds (distance) P-C4' energy: -69.757 flat angles C4'-P-C4' energy: -54.593 flat angles P-C4'-P energy: -47.165 tors. eta vs tors. theta energy: -68.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -692.572319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.572319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.572319 (E_RNA) where: Base-Base interactions energy: -448.261 where: short stacking energy: -183.116 Base-Backbone interact. energy: -1.139 local terms energy: -243.172413 where: bonds (distance) C4'-P energy: -52.567 bonds (distance) P-C4' energy: -59.911 flat angles C4'-P-C4' energy: -57.267 flat angles P-C4'-P energy: -41.174 tors. eta vs tors. theta energy: -32.254 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: 3 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -676.437086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.437086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.437086 (E_RNA) where: Base-Base interactions energy: -414.335 where: short stacking energy: -198.380 Base-Backbone interact. energy: -1.341 local terms energy: -260.761919 where: bonds (distance) C4'-P energy: -55.838 bonds (distance) P-C4' energy: -64.273 flat angles C4'-P-C4' energy: -59.365 flat angles P-C4'-P energy: -29.860 tors. eta vs tors. theta energy: -51.427 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: 8, replica: 1 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -406.339073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.339073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.339073 (E_RNA) where: Base-Base interactions energy: -206.440 where: short stacking energy: -124.739 Base-Backbone interact. energy: -0.438 local terms energy: -199.461255 where: bonds (distance) C4'-P energy: -52.041 bonds (distance) P-C4' energy: -55.745 flat angles C4'-P-C4' energy: -52.356 flat angles P-C4'-P energy: -30.672 tors. eta vs tors. theta energy: -8.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -306.391929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.391929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.391929 (E_RNA) where: Base-Base interactions energy: -151.806 where: short stacking energy: -89.036 Base-Backbone interact. energy: 0.155 local terms energy: -154.740549 where: bonds (distance) C4'-P energy: -60.924 bonds (distance) P-C4' energy: -56.432 flat angles C4'-P-C4' energy: -37.451 flat angles P-C4'-P energy: -1.028 tors. eta vs tors. theta energy: 1.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -304.447211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.447211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.447211 (E_RNA) where: Base-Base interactions energy: -128.812 where: short stacking energy: -86.856 Base-Backbone interact. energy: 1.267 local terms energy: -176.902279 where: bonds (distance) C4'-P energy: -52.174 bonds (distance) P-C4' energy: -50.798 flat angles C4'-P-C4' energy: -49.451 flat angles P-C4'-P energy: -21.286 tors. eta vs tors. theta energy: -3.192 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: 1, replica: 5 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -1033.723135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.723135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.723135 (E_RNA) where: Base-Base interactions energy: -727.690 where: short stacking energy: -307.056 Base-Backbone interact. energy: -1.378 local terms energy: -304.654311 where: bonds (distance) C4'-P energy: -51.977 bonds (distance) P-C4' energy: -63.984 flat angles C4'-P-C4' energy: -67.607 flat angles P-C4'-P energy: -41.407 tors. eta vs tors. theta energy: -79.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -1019.812187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.812187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.812187 (E_RNA) where: Base-Base interactions energy: -670.714 where: short stacking energy: -298.301 Base-Backbone interact. energy: -4.851 local terms energy: -344.246891 where: bonds (distance) C4'-P energy: -61.891 bonds (distance) P-C4' energy: -61.781 flat angles C4'-P-C4' energy: -72.074 flat angles P-C4'-P energy: -56.379 tors. eta vs tors. theta energy: -92.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -956.536363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.536363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.536363 (E_RNA) where: Base-Base interactions energy: -629.434 where: short stacking energy: -286.142 Base-Backbone interact. energy: -0.682 local terms energy: -326.421276 where: bonds (distance) C4'-P energy: -60.060 bonds (distance) P-C4' energy: -66.971 flat angles C4'-P-C4' energy: -73.437 flat angles P-C4'-P energy: -42.821 tors. eta vs tors. theta energy: -83.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -943.254130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.254130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.254130 (E_RNA) where: Base-Base interactions energy: -620.950 where: short stacking energy: -277.700 Base-Backbone interact. energy: -0.705 local terms energy: -321.599695 where: bonds (distance) C4'-P energy: -68.148 bonds (distance) P-C4' energy: -61.544 flat angles C4'-P-C4' energy: -66.625 flat angles P-C4'-P energy: -41.730 tors. eta vs tors. theta energy: -83.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -838.835503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.835503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.835503 (E_RNA) where: Base-Base interactions energy: -564.519 where: short stacking energy: -248.750 Base-Backbone interact. energy: -0.944 local terms energy: -273.372557 where: bonds (distance) C4'-P energy: -48.632 bonds (distance) P-C4' energy: -54.564 flat angles C4'-P-C4' energy: -60.331 flat angles P-C4'-P energy: -47.889 tors. eta vs tors. theta energy: -61.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -695.145140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.145140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.145140 (E_RNA) where: Base-Base interactions energy: -452.316 where: short stacking energy: -181.136 Base-Backbone interact. energy: -2.337 local terms energy: -240.492603 where: bonds (distance) C4'-P energy: -53.441 bonds (distance) P-C4' energy: -59.261 flat angles C4'-P-C4' energy: -56.764 flat angles P-C4'-P energy: -33.146 tors. eta vs tors. theta energy: -37.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -628.571841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.571841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.571841 (E_RNA) where: Base-Base interactions energy: -389.479 where: short stacking energy: -205.653 Base-Backbone interact. energy: -1.362 local terms energy: -237.730669 where: bonds (distance) C4'-P energy: -56.406 bonds (distance) P-C4' energy: -55.689 flat angles C4'-P-C4' energy: -48.332 flat angles P-C4'-P energy: -32.833 tors. eta vs tors. theta energy: -44.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -313.733834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.733834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.733834 (E_RNA) where: Base-Base interactions energy: -140.077 where: short stacking energy: -98.271 Base-Backbone interact. energy: 0.551 local terms energy: -174.207661 where: bonds (distance) C4'-P energy: -43.975 bonds (distance) P-C4' energy: -57.547 flat angles C4'-P-C4' energy: -56.393 flat angles P-C4'-P energy: -17.755 tors. eta vs tors. theta energy: 1.462 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: 4 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -335.524407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.524407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.524407 (E_RNA) where: Base-Base interactions energy: -146.142 where: short stacking energy: -102.943 Base-Backbone interact. energy: 2.433 local terms energy: -191.815059 where: bonds (distance) C4'-P energy: -56.275 bonds (distance) P-C4' energy: -52.625 flat angles C4'-P-C4' energy: -44.424 flat angles P-C4'-P energy: -35.566 tors. eta vs tors. theta energy: -2.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -294.475084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.475084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.475084 (E_RNA) where: Base-Base interactions energy: -106.017 where: short stacking energy: -68.307 Base-Backbone interact. energy: 1.724 local terms energy: -190.182546 where: bonds (distance) C4'-P energy: -47.993 bonds (distance) P-C4' energy: -52.412 flat angles C4'-P-C4' energy: -54.561 flat angles P-C4'-P energy: -45.050 tors. eta vs tors. theta energy: 9.834 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: 50 Temperature: 0.900000 Total energy: -1043.867580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.867580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.867580 (E_RNA) where: Base-Base interactions energy: -721.195 where: short stacking energy: -313.667 Base-Backbone interact. energy: -3.218 local terms energy: -319.454369 where: bonds (distance) C4'-P energy: -54.562 bonds (distance) P-C4' energy: -58.939 flat angles C4'-P-C4' energy: -66.653 flat angles P-C4'-P energy: -50.538 tors. eta vs tors. theta energy: -88.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -1025.235677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.235677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.235677 (E_RNA) where: Base-Base interactions energy: -702.960 where: short stacking energy: -274.515 Base-Backbone interact. energy: -0.552 local terms energy: -321.724199 where: bonds (distance) C4'-P energy: -63.514 bonds (distance) P-C4' energy: -65.979 flat angles C4'-P-C4' energy: -67.965 flat angles P-C4'-P energy: -43.720 tors. eta vs tors. theta energy: -80.547 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: 2 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -960.153087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.153087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.153087 (E_RNA) where: Base-Base interactions energy: -644.972 where: short stacking energy: -292.376 Base-Backbone interact. energy: 0.937 local terms energy: -316.117906 where: bonds (distance) C4'-P energy: -63.670 bonds (distance) P-C4' energy: -66.718 flat angles C4'-P-C4' energy: -57.484 flat angles P-C4'-P energy: -46.558 tors. eta vs tors. theta energy: -81.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -944.744638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.744638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.744638 (E_RNA) where: Base-Base interactions energy: -628.661 where: short stacking energy: -274.265 Base-Backbone interact. energy: -1.695 local terms energy: -314.388854 where: bonds (distance) C4'-P energy: -49.665 bonds (distance) P-C4' energy: -64.187 flat angles C4'-P-C4' energy: -72.125 flat angles P-C4'-P energy: -43.907 tors. eta vs tors. theta energy: -84.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -864.964195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.964195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.964195 (E_RNA) where: Base-Base interactions energy: -584.342 where: short stacking energy: -265.714 Base-Backbone interact. energy: 7.301 local terms energy: -287.923657 where: bonds (distance) C4'-P energy: -59.189 bonds (distance) P-C4' energy: -60.753 flat angles C4'-P-C4' energy: -53.577 flat angles P-C4'-P energy: -39.502 tors. eta vs tors. theta energy: -74.901 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: 6, replica: 6 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -692.705481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.705481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.705481 (E_RNA) where: Base-Base interactions energy: -449.887 where: short stacking energy: -184.342 Base-Backbone interact. energy: -3.675 local terms energy: -239.143083 where: bonds (distance) C4'-P energy: -55.600 bonds (distance) P-C4' energy: -57.730 flat angles C4'-P-C4' energy: -51.905 flat angles P-C4'-P energy: -41.273 tors. eta vs tors. theta energy: -32.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -598.518262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.518262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.518262 (E_RNA) where: Base-Base interactions energy: -356.714 where: short stacking energy: -170.193 Base-Backbone interact. energy: -2.737 local terms energy: -239.066617 where: bonds (distance) C4'-P energy: -46.261 bonds (distance) P-C4' energy: -58.887 flat angles C4'-P-C4' energy: -61.200 flat angles P-C4'-P energy: -37.834 tors. eta vs tors. theta energy: -34.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -309.185340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.185340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.185340 (E_RNA) where: Base-Base interactions energy: -126.284 where: short stacking energy: -103.144 Base-Backbone interact. energy: -1.799 local terms energy: -181.102792 where: bonds (distance) C4'-P energy: -50.454 bonds (distance) P-C4' energy: -61.319 flat angles C4'-P-C4' energy: -50.166 flat angles P-C4'-P energy: -24.024 tors. eta vs tors. theta energy: 4.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -305.684107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.684107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.684107 (E_RNA) where: Base-Base interactions energy: -119.612 where: short stacking energy: -86.480 Base-Backbone interact. energy: -1.327 local terms energy: -184.745586 where: bonds (distance) C4'-P energy: -64.822 bonds (distance) P-C4' energy: -48.855 flat angles C4'-P-C4' energy: -43.783 flat angles P-C4'-P energy: -31.357 tors. eta vs tors. theta energy: 4.071 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: 4 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -315.956750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.956750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.956750 (E_RNA) where: Base-Base interactions energy: -138.051 where: short stacking energy: -74.431 Base-Backbone interact. energy: -2.121 local terms energy: -175.784319 where: bonds (distance) C4'-P energy: -50.677 bonds (distance) P-C4' energy: -56.466 flat angles C4'-P-C4' energy: -46.618 flat angles P-C4'-P energy: -28.823 tors. eta vs tors. theta energy: 6.799 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: 9 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -1071.127567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.127567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.127567 (E_RNA) where: Base-Base interactions energy: -737.439 where: short stacking energy: -319.923 Base-Backbone interact. energy: -1.372 local terms energy: -332.316806 where: bonds (distance) C4'-P energy: -55.309 bonds (distance) P-C4' energy: -65.113 flat angles C4'-P-C4' energy: -67.093 flat angles P-C4'-P energy: -50.905 tors. eta vs tors. theta energy: -93.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -1008.879688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.879688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.879688 (E_RNA) where: Base-Base interactions energy: -684.592 where: short stacking energy: -296.782 Base-Backbone interact. energy: 0.861 local terms energy: -325.148384 where: bonds (distance) C4'-P energy: -69.508 bonds (distance) P-C4' energy: -64.428 flat angles C4'-P-C4' energy: -70.014 flat angles P-C4'-P energy: -41.424 tors. eta vs tors. theta energy: -79.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -943.040271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.040271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.040271 (E_RNA) where: Base-Base interactions energy: -626.996 where: short stacking energy: -312.111 Base-Backbone interact. energy: -2.065 local terms energy: -313.979210 where: bonds (distance) C4'-P energy: -57.784 bonds (distance) P-C4' energy: -64.836 flat angles C4'-P-C4' energy: -70.835 flat angles P-C4'-P energy: -37.357 tors. eta vs tors. theta energy: -83.167 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: 8 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -963.165443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.165443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.165443 (E_RNA) where: Base-Base interactions energy: -639.858 where: short stacking energy: -278.974 Base-Backbone interact. energy: -0.981 local terms energy: -322.326788 where: bonds (distance) C4'-P energy: -66.895 bonds (distance) P-C4' energy: -51.485 flat angles C4'-P-C4' energy: -74.161 flat angles P-C4'-P energy: -55.169 tors. eta vs tors. theta energy: -74.616 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: 7 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -797.692009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.692009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.692009 (E_RNA) where: Base-Base interactions energy: -542.270 where: short stacking energy: -236.228 Base-Backbone interact. energy: -1.857 local terms energy: -253.565067 where: bonds (distance) C4'-P energy: -55.591 bonds (distance) P-C4' energy: -61.420 flat angles C4'-P-C4' energy: -57.997 flat angles P-C4'-P energy: -30.576 tors. eta vs tors. theta energy: -47.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -675.223211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.223211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.223211 (E_RNA) where: Base-Base interactions energy: -410.315 where: short stacking energy: -208.131 Base-Backbone interact. energy: 2.394 local terms energy: -267.302096 where: bonds (distance) C4'-P energy: -60.050 bonds (distance) P-C4' energy: -53.086 flat angles C4'-P-C4' energy: -66.512 flat angles P-C4'-P energy: -40.651 tors. eta vs tors. theta energy: -47.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -618.548655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.548655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.548655 (E_RNA) where: Base-Base interactions energy: -375.421 where: short stacking energy: -198.320 Base-Backbone interact. energy: -1.371 local terms energy: -241.756872 where: bonds (distance) C4'-P energy: -56.001 bonds (distance) P-C4' energy: -53.049 flat angles C4'-P-C4' energy: -56.931 flat angles P-C4'-P energy: -27.448 tors. eta vs tors. theta energy: -48.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -337.720957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.720957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.720957 (E_RNA) where: Base-Base interactions energy: -131.308 where: short stacking energy: -113.623 Base-Backbone interact. energy: -2.023 local terms energy: -204.389928 where: bonds (distance) C4'-P energy: -57.805 bonds (distance) P-C4' energy: -56.148 flat angles C4'-P-C4' energy: -60.864 flat angles P-C4'-P energy: -27.654 tors. eta vs tors. theta energy: -1.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -293.588198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.588198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.588198 (E_RNA) where: Base-Base interactions energy: -106.569 where: short stacking energy: -71.075 Base-Backbone interact. energy: 2.839 local terms energy: -189.858477 where: bonds (distance) C4'-P energy: -47.748 bonds (distance) P-C4' energy: -59.283 flat angles C4'-P-C4' energy: -42.473 flat angles P-C4'-P energy: -32.337 tors. eta vs tors. theta energy: -8.018 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: 4 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -264.446605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.446605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.446605 (E_RNA) where: Base-Base interactions energy: -86.424 where: short stacking energy: -63.011 Base-Backbone interact. energy: 0.522 local terms energy: -178.544535 where: bonds (distance) C4'-P energy: -57.461 bonds (distance) P-C4' energy: -60.625 flat angles C4'-P-C4' energy: -47.971 flat angles P-C4'-P energy: -23.568 tors. eta vs tors. theta energy: 11.081 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: 9 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -1084.232369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.232369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.232369 (E_RNA) where: Base-Base interactions energy: -739.589 where: short stacking energy: -305.718 Base-Backbone interact. energy: 3.128 local terms energy: -347.771556 where: bonds (distance) C4'-P energy: -58.401 bonds (distance) P-C4' energy: -64.094 flat angles C4'-P-C4' energy: -76.584 flat angles P-C4'-P energy: -50.150 tors. eta vs tors. theta energy: -98.543 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: 2, replica: 5 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -1014.860869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.860869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.860869 (E_RNA) where: Base-Base interactions energy: -707.534 where: short stacking energy: -290.475 Base-Backbone interact. energy: -3.317 local terms energy: -304.009304 where: bonds (distance) C4'-P energy: -63.848 bonds (distance) P-C4' energy: -50.915 flat angles C4'-P-C4' energy: -70.736 flat angles P-C4'-P energy: -40.561 tors. eta vs tors. theta energy: -77.949 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: 3, replica: 2 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -964.623223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.623223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.623223 (E_RNA) where: Base-Base interactions energy: -634.920 where: short stacking energy: -296.572 Base-Backbone interact. energy: -1.636 local terms energy: -328.067024 where: bonds (distance) C4'-P energy: -63.627 bonds (distance) P-C4' energy: -65.283 flat angles C4'-P-C4' energy: -67.750 flat angles P-C4'-P energy: -43.449 tors. eta vs tors. theta energy: -87.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -943.904559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.904559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.904559 (E_RNA) where: Base-Base interactions energy: -636.464 where: short stacking energy: -271.830 Base-Backbone interact. energy: -1.460 local terms energy: -305.980843 where: bonds (distance) C4'-P energy: -58.419 bonds (distance) P-C4' energy: -66.857 flat angles C4'-P-C4' energy: -69.822 flat angles P-C4'-P energy: -40.829 tors. eta vs tors. theta energy: -70.053 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: 7 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -836.928398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.928398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.928398 (E_RNA) where: Base-Base interactions energy: -557.640 where: short stacking energy: -237.862 Base-Backbone interact. energy: -2.133 local terms energy: -277.155873 where: bonds (distance) C4'-P energy: -49.789 bonds (distance) P-C4' energy: -65.964 flat angles C4'-P-C4' energy: -63.206 flat angles P-C4'-P energy: -37.338 tors. eta vs tors. theta energy: -60.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -664.480306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.480306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.480306 (E_RNA) where: Base-Base interactions energy: -384.555 where: short stacking energy: -189.544 Base-Backbone interact. energy: -0.565 local terms energy: -279.360649 where: bonds (distance) C4'-P energy: -60.134 bonds (distance) P-C4' energy: -68.729 flat angles C4'-P-C4' energy: -58.087 flat angles P-C4'-P energy: -39.963 tors. eta vs tors. theta energy: -52.449 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: 3 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -617.121545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.121545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.121545 (E_RNA) where: Base-Base interactions energy: -388.148 where: short stacking energy: -192.511 Base-Backbone interact. energy: -0.893 local terms energy: -228.080483 where: bonds (distance) C4'-P energy: -37.604 bonds (distance) P-C4' energy: -52.819 flat angles C4'-P-C4' energy: -60.566 flat angles P-C4'-P energy: -39.873 tors. eta vs tors. theta energy: -37.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -332.214998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.214998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.214998 (E_RNA) where: Base-Base interactions energy: -139.108 where: short stacking energy: -114.886 Base-Backbone interact. energy: 0.185 local terms energy: -193.291845 where: bonds (distance) C4'-P energy: -53.231 bonds (distance) P-C4' energy: -51.167 flat angles C4'-P-C4' energy: -50.619 flat angles P-C4'-P energy: -25.357 tors. eta vs tors. theta energy: -12.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -323.996198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.996198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.996198 (E_RNA) where: Base-Base interactions energy: -130.769 where: short stacking energy: -102.834 Base-Backbone interact. energy: -2.045 local terms energy: -191.182855 where: bonds (distance) C4'-P energy: -44.885 bonds (distance) P-C4' energy: -49.270 flat angles C4'-P-C4' energy: -56.795 flat angles P-C4'-P energy: -29.286 tors. eta vs tors. theta energy: -10.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -292.029628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.029628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.029628 (E_RNA) where: Base-Base interactions energy: -112.213 where: short stacking energy: -80.931 Base-Backbone interact. energy: 0.993 local terms energy: -180.809118 where: bonds (distance) C4'-P energy: -63.703 bonds (distance) P-C4' energy: -34.030 flat angles C4'-P-C4' energy: -44.736 flat angles P-C4'-P energy: -30.466 tors. eta vs tors. theta energy: -7.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -1095.916944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.916944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.916944 (E_RNA) where: Base-Base interactions energy: -759.192 where: short stacking energy: -317.809 Base-Backbone interact. energy: -2.054 local terms energy: -334.670981 where: bonds (distance) C4'-P energy: -68.205 bonds (distance) P-C4' energy: -56.999 flat angles C4'-P-C4' energy: -71.842 flat angles P-C4'-P energy: -47.932 tors. eta vs tors. theta energy: -89.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -1046.153800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.153800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.153800 (E_RNA) where: Base-Base interactions energy: -725.901 where: short stacking energy: -304.618 Base-Backbone interact. energy: -1.146 local terms energy: -319.107402 where: bonds (distance) C4'-P energy: -53.307 bonds (distance) P-C4' energy: -65.381 flat angles C4'-P-C4' energy: -69.344 flat angles P-C4'-P energy: -47.871 tors. eta vs tors. theta energy: -83.205 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: 2 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -968.345990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.345990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.345990 (E_RNA) where: Base-Base interactions energy: -641.221 where: short stacking energy: -287.815 Base-Backbone interact. energy: -0.047 local terms energy: -327.078410 where: bonds (distance) C4'-P energy: -61.827 bonds (distance) P-C4' energy: -62.342 flat angles C4'-P-C4' energy: -72.652 flat angles P-C4'-P energy: -46.799 tors. eta vs tors. theta energy: -83.458 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: 8 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -927.647918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.647918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.647918 (E_RNA) where: Base-Base interactions energy: -638.681 where: short stacking energy: -280.098 Base-Backbone interact. energy: -0.629 local terms energy: -288.337654 where: bonds (distance) C4'-P energy: -48.338 bonds (distance) P-C4' energy: -60.262 flat angles C4'-P-C4' energy: -55.313 flat angles P-C4'-P energy: -39.877 tors. eta vs tors. theta energy: -84.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -842.577665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.577665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.577665 (E_RNA) where: Base-Base interactions energy: -548.400 where: short stacking energy: -234.290 Base-Backbone interact. energy: -2.264 local terms energy: -291.913244 where: bonds (distance) C4'-P energy: -60.224 bonds (distance) P-C4' energy: -69.356 flat angles C4'-P-C4' energy: -57.923 flat angles P-C4'-P energy: -41.409 tors. eta vs tors. theta energy: -63.002 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: 3 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -647.194227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.194227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.194227 (E_RNA) where: Base-Base interactions energy: -375.281 where: short stacking energy: -199.058 Base-Backbone interact. energy: 1.527 local terms energy: -273.440193 where: bonds (distance) C4'-P energy: -60.259 bonds (distance) P-C4' energy: -57.456 flat angles C4'-P-C4' energy: -64.037 flat angles P-C4'-P energy: -41.915 tors. eta vs tors. theta energy: -49.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -633.076532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.076532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.076532 (E_RNA) where: Base-Base interactions energy: -397.932 where: short stacking energy: -179.090 Base-Backbone interact. energy: 3.496 local terms energy: -238.640418 where: bonds (distance) C4'-P energy: -57.786 bonds (distance) P-C4' energy: -51.138 flat angles C4'-P-C4' energy: -56.598 flat angles P-C4'-P energy: -28.519 tors. eta vs tors. theta energy: -44.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -321.774552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.774552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.774552 (E_RNA) where: Base-Base interactions energy: -127.525 where: short stacking energy: -87.362 Base-Backbone interact. energy: 1.093 local terms energy: -195.343069 where: bonds (distance) C4'-P energy: -48.484 bonds (distance) P-C4' energy: -56.364 flat angles C4'-P-C4' energy: -52.736 flat angles P-C4'-P energy: -43.069 tors. eta vs tors. theta energy: 5.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -302.200938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.200938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.200938 (E_RNA) where: Base-Base interactions energy: -114.570 where: short stacking energy: -83.255 Base-Backbone interact. energy: 0.907 local terms energy: -188.537509 where: bonds (distance) C4'-P energy: -58.305 bonds (distance) P-C4' energy: -57.994 flat angles C4'-P-C4' energy: -46.502 flat angles P-C4'-P energy: -28.103 tors. eta vs tors. theta energy: 2.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -270.992290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.992290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.992290 (E_RNA) where: Base-Base interactions energy: -106.962 where: short stacking energy: -78.310 Base-Backbone interact. energy: -0.597 local terms energy: -163.433740 where: bonds (distance) C4'-P energy: -57.864 bonds (distance) P-C4' energy: -54.930 flat angles C4'-P-C4' energy: -41.980 flat angles P-C4'-P energy: -24.651 tors. eta vs tors. theta energy: 15.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -1090.514407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.514407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.514407 (E_RNA) where: Base-Base interactions energy: -761.298 where: short stacking energy: -313.157 Base-Backbone interact. energy: -0.705 local terms energy: -328.511833 where: bonds (distance) C4'-P energy: -65.004 bonds (distance) P-C4' energy: -60.846 flat angles C4'-P-C4' energy: -68.576 flat angles P-C4'-P energy: -46.089 tors. eta vs tors. theta energy: -87.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -1060.676795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.676795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.676795 (E_RNA) where: Base-Base interactions energy: -750.833 where: short stacking energy: -309.448 Base-Backbone interact. energy: -0.859 local terms energy: -308.984567 where: bonds (distance) C4'-P energy: -49.195 bonds (distance) P-C4' energy: -65.280 flat angles C4'-P-C4' energy: -72.555 flat angles P-C4'-P energy: -38.812 tors. eta vs tors. theta energy: -83.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -961.810676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.810676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.810676 (E_RNA) where: Base-Base interactions energy: -639.885 where: short stacking energy: -284.571 Base-Backbone interact. energy: -2.416 local terms energy: -319.509839 where: bonds (distance) C4'-P energy: -59.223 bonds (distance) P-C4' energy: -55.750 flat angles C4'-P-C4' energy: -74.947 flat angles P-C4'-P energy: -46.722 tors. eta vs tors. theta energy: -82.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -948.667942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.667942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.667942 (E_RNA) where: Base-Base interactions energy: -628.983 where: short stacking energy: -281.279 Base-Backbone interact. energy: -1.407 local terms energy: -318.277169 where: bonds (distance) C4'-P energy: -55.443 bonds (distance) P-C4' energy: -58.683 flat angles C4'-P-C4' energy: -78.098 flat angles P-C4'-P energy: -46.383 tors. eta vs tors. theta energy: -79.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -839.406972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.406972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.406972 (E_RNA) where: Base-Base interactions energy: -560.779 where: short stacking energy: -248.339 Base-Backbone interact. energy: -1.342 local terms energy: -277.286510 where: bonds (distance) C4'-P energy: -46.000 bonds (distance) P-C4' energy: -58.814 flat angles C4'-P-C4' energy: -66.440 flat angles P-C4'-P energy: -41.597 tors. eta vs tors. theta energy: -64.436 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: 6, replica: 3 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -673.303840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.303840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.303840 (E_RNA) where: Base-Base interactions energy: -411.508 where: short stacking energy: -190.098 Base-Backbone interact. energy: -1.347 local terms energy: -260.448863 where: bonds (distance) C4'-P energy: -55.808 bonds (distance) P-C4' energy: -57.950 flat angles C4'-P-C4' energy: -70.595 flat angles P-C4'-P energy: -27.409 tors. eta vs tors. theta energy: -48.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -639.626511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.626511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.626511 (E_RNA) where: Base-Base interactions energy: -385.993 where: short stacking energy: -172.912 Base-Backbone interact. energy: 5.615 local terms energy: -259.248381 where: bonds (distance) C4'-P energy: -63.963 bonds (distance) P-C4' energy: -56.701 flat angles C4'-P-C4' energy: -65.950 flat angles P-C4'-P energy: -37.823 tors. eta vs tors. theta energy: -34.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -344.454612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.454612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.454612 (E_RNA) where: Base-Base interactions energy: -167.905 where: short stacking energy: -95.007 Base-Backbone interact. energy: -0.994 local terms energy: -175.555043 where: bonds (distance) C4'-P energy: -41.035 bonds (distance) P-C4' energy: -55.081 flat angles C4'-P-C4' energy: -47.883 flat angles P-C4'-P energy: -34.756 tors. eta vs tors. theta energy: 3.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -312.832321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.832321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.832321 (E_RNA) where: Base-Base interactions energy: -135.191 where: short stacking energy: -107.782 Base-Backbone interact. energy: -0.789 local terms energy: -176.852549 where: bonds (distance) C4'-P energy: -54.547 bonds (distance) P-C4' energy: -54.720 flat angles C4'-P-C4' energy: -43.542 flat angles P-C4'-P energy: -26.754 tors. eta vs tors. theta energy: 2.710 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: 10 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -276.379896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.379896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.379896 (E_RNA) where: Base-Base interactions energy: -109.837 where: short stacking energy: -59.724 Base-Backbone interact. energy: 1.438 local terms energy: -167.980597 where: bonds (distance) C4'-P energy: -57.355 bonds (distance) P-C4' energy: -61.456 flat angles C4'-P-C4' energy: -39.734 flat angles P-C4'-P energy: -21.170 tors. eta vs tors. theta energy: 11.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -1073.250295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.250295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.250295 (E_RNA) where: Base-Base interactions energy: -744.269 where: short stacking energy: -298.675 Base-Backbone interact. energy: -1.743 local terms energy: -327.238066 where: bonds (distance) C4'-P energy: -55.726 bonds (distance) P-C4' energy: -63.042 flat angles C4'-P-C4' energy: -68.830 flat angles P-C4'-P energy: -48.004 tors. eta vs tors. theta energy: -91.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -1055.108784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.108784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.108784 (E_RNA) where: Base-Base interactions energy: -734.102 where: short stacking energy: -294.812 Base-Backbone interact. energy: 0.008 local terms energy: -321.014544 where: bonds (distance) C4'-P energy: -63.106 bonds (distance) P-C4' energy: -56.641 flat angles C4'-P-C4' energy: -72.323 flat angles P-C4'-P energy: -47.835 tors. eta vs tors. theta energy: -81.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -980.910933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.910933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.910933 (E_RNA) where: Base-Base interactions energy: -655.369 where: short stacking energy: -295.548 Base-Backbone interact. energy: -1.371 local terms energy: -324.170949 where: bonds (distance) C4'-P energy: -51.783 bonds (distance) P-C4' energy: -65.316 flat angles C4'-P-C4' energy: -72.051 flat angles P-C4'-P energy: -50.241 tors. eta vs tors. theta energy: -84.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -960.605530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.605530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.605530 (E_RNA) where: Base-Base interactions energy: -650.522 where: short stacking energy: -281.650 Base-Backbone interact. energy: -1.434 local terms energy: -308.648781 where: bonds (distance) C4'-P energy: -59.113 bonds (distance) P-C4' energy: -45.139 flat angles C4'-P-C4' energy: -65.093 flat angles P-C4'-P energy: -46.647 tors. eta vs tors. theta energy: -92.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -840.156696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.156696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.156696 (E_RNA) where: Base-Base interactions energy: -562.751 where: short stacking energy: -245.860 Base-Backbone interact. energy: -2.269 local terms energy: -275.136225 where: bonds (distance) C4'-P energy: -55.730 bonds (distance) P-C4' energy: -44.644 flat angles C4'-P-C4' energy: -68.289 flat angles P-C4'-P energy: -43.436 tors. eta vs tors. theta energy: -63.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -681.859464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.859464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.859464 (E_RNA) where: Base-Base interactions energy: -428.705 where: short stacking energy: -182.649 Base-Backbone interact. energy: 1.041 local terms energy: -254.195948 where: bonds (distance) C4'-P energy: -69.150 bonds (distance) P-C4' energy: -47.840 flat angles C4'-P-C4' energy: -58.554 flat angles P-C4'-P energy: -43.067 tors. eta vs tors. theta energy: -35.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -629.858517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.858517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.858517 (E_RNA) where: Base-Base interactions energy: -392.852 where: short stacking energy: -188.960 Base-Backbone interact. energy: 0.776 local terms energy: -237.782193 where: bonds (distance) C4'-P energy: -57.998 bonds (distance) P-C4' energy: -54.141 flat angles C4'-P-C4' energy: -51.795 flat angles P-C4'-P energy: -33.457 tors. eta vs tors. theta energy: -40.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -380.418491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.418491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.418491 (E_RNA) where: Base-Base interactions energy: -179.952 where: short stacking energy: -113.581 Base-Backbone interact. energy: -1.191 local terms energy: -199.275654 where: bonds (distance) C4'-P energy: -61.316 bonds (distance) P-C4' energy: -49.078 flat angles C4'-P-C4' energy: -44.546 flat angles P-C4'-P energy: -27.885 tors. eta vs tors. theta energy: -16.452 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: 9, replica: 1 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -281.453055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.453055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.453055 (E_RNA) where: Base-Base interactions energy: -124.165 where: short stacking energy: -79.896 Base-Backbone interact. energy: 0.238 local terms energy: -157.526839 where: bonds (distance) C4'-P energy: -36.973 bonds (distance) P-C4' energy: -57.412 flat angles C4'-P-C4' energy: -42.853 flat angles P-C4'-P energy: -29.680 tors. eta vs tors. theta energy: 9.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -291.567701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.567701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.567701 (E_RNA) where: Base-Base interactions energy: -103.217 where: short stacking energy: -76.689 Base-Backbone interact. energy: -0.286 local terms energy: -188.064088 where: bonds (distance) C4'-P energy: -50.029 bonds (distance) P-C4' energy: -66.323 flat angles C4'-P-C4' energy: -55.202 flat angles P-C4'-P energy: -23.780 tors. eta vs tors. theta energy: 7.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -1100.854559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.854559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.854559 (E_RNA) where: Base-Base interactions energy: -759.431 where: short stacking energy: -307.170 Base-Backbone interact. energy: -3.162 local terms energy: -338.261482 where: bonds (distance) C4'-P energy: -61.932 bonds (distance) P-C4' energy: -63.850 flat angles C4'-P-C4' energy: -72.898 flat angles P-C4'-P energy: -45.737 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: 2, replica: 5 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -1045.728471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.728471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.728471 (E_RNA) where: Base-Base interactions energy: -721.545 where: short stacking energy: -294.434 Base-Backbone interact. energy: -0.004 local terms energy: -324.179112 where: bonds (distance) C4'-P energy: -62.091 bonds (distance) P-C4' energy: -56.654 flat angles C4'-P-C4' energy: -71.180 flat angles P-C4'-P energy: -47.855 tors. eta vs tors. theta energy: -86.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -978.872094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.872094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.872094 (E_RNA) where: Base-Base interactions energy: -666.815 where: short stacking energy: -310.849 Base-Backbone interact. energy: -1.507 local terms energy: -310.549625 where: bonds (distance) C4'-P energy: -58.451 bonds (distance) P-C4' energy: -62.696 flat angles C4'-P-C4' energy: -60.781 flat angles P-C4'-P energy: -41.923 tors. eta vs tors. theta energy: -86.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -958.382243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.382243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.382243 (E_RNA) where: Base-Base interactions energy: -633.200 where: short stacking energy: -276.232 Base-Backbone interact. energy: -1.283 local terms energy: -323.899695 where: bonds (distance) C4'-P energy: -64.173 bonds (distance) P-C4' energy: -52.369 flat angles C4'-P-C4' energy: -73.045 flat angles P-C4'-P energy: -46.321 tors. eta vs tors. theta energy: -87.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -864.711025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.711025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.711025 (E_RNA) where: Base-Base interactions energy: -569.778 where: short stacking energy: -256.284 Base-Backbone interact. energy: 0.311 local terms energy: -295.244255 where: bonds (distance) C4'-P energy: -55.840 bonds (distance) P-C4' energy: -61.327 flat angles C4'-P-C4' energy: -66.056 flat angles P-C4'-P energy: -43.501 tors. eta vs tors. theta energy: -68.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -674.077229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.077229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.077229 (E_RNA) where: Base-Base interactions energy: -411.700 where: short stacking energy: -200.631 Base-Backbone interact. energy: -0.173 local terms energy: -262.203980 where: bonds (distance) C4'-P energy: -56.867 bonds (distance) P-C4' energy: -63.613 flat angles C4'-P-C4' energy: -56.419 flat angles P-C4'-P energy: -36.920 tors. eta vs tors. theta energy: -48.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -652.173174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.173174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.173174 (E_RNA) where: Base-Base interactions energy: -405.461 where: short stacking energy: -186.208 Base-Backbone interact. energy: 1.056 local terms energy: -247.767936 where: bonds (distance) C4'-P energy: -48.312 bonds (distance) P-C4' energy: -50.831 flat angles C4'-P-C4' energy: -61.883 flat angles P-C4'-P energy: -39.177 tors. eta vs tors. theta energy: -47.565 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: 4 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -364.157283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.157283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.157283 (E_RNA) where: Base-Base interactions energy: -170.605 where: short stacking energy: -115.487 Base-Backbone interact. energy: -0.949 local terms energy: -192.603198 where: bonds (distance) C4'-P energy: -54.572 bonds (distance) P-C4' energy: -56.318 flat angles C4'-P-C4' energy: -43.323 flat angles P-C4'-P energy: -27.602 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: 9, replica: 1 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -315.883307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.883307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.883307 (E_RNA) where: Base-Base interactions energy: -126.411 where: short stacking energy: -86.003 Base-Backbone interact. energy: -1.016 local terms energy: -188.456405 where: bonds (distance) C4'-P energy: -57.564 bonds (distance) P-C4' energy: -50.424 flat angles C4'-P-C4' energy: -45.167 flat angles P-C4'-P energy: -30.574 tors. eta vs tors. theta energy: -4.727 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: 10 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -263.182614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.182614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.182614 (E_RNA) where: Base-Base interactions energy: -92.142 where: short stacking energy: -81.284 Base-Backbone interact. energy: -0.308 local terms energy: -170.732862 where: bonds (distance) C4'-P energy: -58.705 bonds (distance) P-C4' energy: -53.576 flat angles C4'-P-C4' energy: -41.725 flat angles P-C4'-P energy: -20.553 tors. eta vs tors. theta energy: 3.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -1086.738354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.738354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.738354 (E_RNA) where: Base-Base interactions energy: -752.124 where: short stacking energy: -321.808 Base-Backbone interact. energy: -1.387 local terms energy: -333.227889 where: bonds (distance) C4'-P energy: -53.140 bonds (distance) P-C4' energy: -76.920 flat angles C4'-P-C4' energy: -67.793 flat angles P-C4'-P energy: -44.404 tors. eta vs tors. theta energy: -90.971 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: 5 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -1033.590682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.590682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.590682 (E_RNA) where: Base-Base interactions energy: -716.738 where: short stacking energy: -301.752 Base-Backbone interact. energy: -0.143 local terms energy: -316.709863 where: bonds (distance) C4'-P energy: -54.640 bonds (distance) P-C4' energy: -62.880 flat angles C4'-P-C4' energy: -69.540 flat angles P-C4'-P energy: -52.699 tors. eta vs tors. theta energy: -76.952 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: 2 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -972.571463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.571463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.571463 (E_RNA) where: Base-Base interactions energy: -650.221 where: short stacking energy: -301.843 Base-Backbone interact. energy: -1.343 local terms energy: -321.008392 where: bonds (distance) C4'-P energy: -58.471 bonds (distance) P-C4' energy: -63.332 flat angles C4'-P-C4' energy: -64.656 flat angles P-C4'-P energy: -38.646 tors. eta vs tors. theta energy: -95.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -945.860793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.860793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.860793 (E_RNA) where: Base-Base interactions energy: -631.377 where: short stacking energy: -277.164 Base-Backbone interact. energy: -1.438 local terms energy: -313.046101 where: bonds (distance) C4'-P energy: -62.652 bonds (distance) P-C4' energy: -59.573 flat angles C4'-P-C4' energy: -64.193 flat angles P-C4'-P energy: -41.344 tors. eta vs tors. theta energy: -85.284 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: 7 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -863.415409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.415409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.415409 (E_RNA) where: Base-Base interactions energy: -580.952 where: short stacking energy: -250.687 Base-Backbone interact. energy: 2.658 local terms energy: -285.121347 where: bonds (distance) C4'-P energy: -55.435 bonds (distance) P-C4' energy: -61.317 flat angles C4'-P-C4' energy: -71.479 flat angles P-C4'-P energy: -42.126 tors. eta vs tors. theta energy: -54.764 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: 6 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -722.102761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.102761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.102761 (E_RNA) where: Base-Base interactions energy: -455.928 where: short stacking energy: -217.878 Base-Backbone interact. energy: 0.944 local terms energy: -267.118302 where: bonds (distance) C4'-P energy: -47.035 bonds (distance) P-C4' energy: -53.690 flat angles C4'-P-C4' energy: -67.840 flat angles P-C4'-P energy: -33.283 tors. eta vs tors. theta energy: -65.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -634.727319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.727319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.727319 (E_RNA) where: Base-Base interactions energy: -396.173 where: short stacking energy: -186.407 Base-Backbone interact. energy: -1.593 local terms energy: -236.961790 where: bonds (distance) C4'-P energy: -48.930 bonds (distance) P-C4' energy: -42.048 flat angles C4'-P-C4' energy: -63.641 flat angles P-C4'-P energy: -37.313 tors. eta vs tors. theta energy: -45.031 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: 4 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -375.549023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.549023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.549023 (E_RNA) where: Base-Base interactions energy: -176.400 where: short stacking energy: -105.979 Base-Backbone interact. energy: -1.080 local terms energy: -198.068465 where: bonds (distance) C4'-P energy: -47.081 bonds (distance) P-C4' energy: -54.963 flat angles C4'-P-C4' energy: -55.018 flat angles P-C4'-P energy: -32.650 tors. eta vs tors. theta energy: -8.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -354.907623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.907623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.907623 (E_RNA) where: Base-Base interactions energy: -182.101 where: short stacking energy: -109.727 Base-Backbone interact. energy: -1.258 local terms energy: -171.549393 where: bonds (distance) C4'-P energy: -48.441 bonds (distance) P-C4' energy: -55.541 flat angles C4'-P-C4' energy: -36.591 flat angles P-C4'-P energy: -25.946 tors. eta vs tors. theta energy: -5.031 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: 10 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -256.875138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.875138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.875138 (E_RNA) where: Base-Base interactions energy: -78.723 where: short stacking energy: -63.800 Base-Backbone interact. energy: -0.923 local terms energy: -177.229400 where: bonds (distance) C4'-P energy: -52.958 bonds (distance) P-C4' energy: -61.457 flat angles C4'-P-C4' energy: -37.765 flat angles P-C4'-P energy: -35.246 tors. eta vs tors. theta energy: 10.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -1099.462413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.462413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.462413 (E_RNA) where: Base-Base interactions energy: -770.180 where: short stacking energy: -325.387 Base-Backbone interact. energy: -1.347 local terms energy: -327.935316 where: bonds (distance) C4'-P energy: -59.168 bonds (distance) P-C4' energy: -60.504 flat angles C4'-P-C4' energy: -67.091 flat angles P-C4'-P energy: -48.397 tors. eta vs tors. theta energy: -92.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -1044.961808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.961808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.961808 (E_RNA) where: Base-Base interactions energy: -719.605 where: short stacking energy: -306.035 Base-Backbone interact. energy: -0.284 local terms energy: -325.073266 where: bonds (distance) C4'-P energy: -58.592 bonds (distance) P-C4' energy: -69.041 flat angles C4'-P-C4' energy: -67.826 flat angles P-C4'-P energy: -47.243 tors. eta vs tors. theta energy: -82.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -967.612238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.612238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.612238 (E_RNA) where: Base-Base interactions energy: -658.321 where: short stacking energy: -290.306 Base-Backbone interact. energy: 1.454 local terms energy: -310.745336 where: bonds (distance) C4'-P energy: -60.858 bonds (distance) P-C4' energy: -54.863 flat angles C4'-P-C4' energy: -65.231 flat angles P-C4'-P energy: -48.448 tors. eta vs tors. theta energy: -81.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -948.353867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.353867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.353867 (E_RNA) where: Base-Base interactions energy: -633.530 where: short stacking energy: -278.173 Base-Backbone interact. energy: -0.472 local terms energy: -314.351798 where: bonds (distance) C4'-P energy: -57.162 bonds (distance) P-C4' energy: -62.504 flat angles C4'-P-C4' energy: -69.130 flat angles P-C4'-P energy: -51.545 tors. eta vs tors. theta energy: -74.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -869.098142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.098142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.098142 (E_RNA) where: Base-Base interactions energy: -581.827 where: short stacking energy: -235.694 Base-Backbone interact. energy: -3.342 local terms energy: -283.929028 where: bonds (distance) C4'-P energy: -61.009 bonds (distance) P-C4' energy: -60.203 flat angles C4'-P-C4' energy: -64.032 flat angles P-C4'-P energy: -38.877 tors. eta vs tors. theta energy: -59.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -724.817870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.817870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.817870 (E_RNA) where: Base-Base interactions energy: -465.684 where: short stacking energy: -214.929 Base-Backbone interact. energy: -0.029 local terms energy: -259.105205 where: bonds (distance) C4'-P energy: -54.287 bonds (distance) P-C4' energy: -59.662 flat angles C4'-P-C4' energy: -60.804 flat angles P-C4'-P energy: -34.608 tors. eta vs tors. theta energy: -49.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -676.737985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.737985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.737985 (E_RNA) where: Base-Base interactions energy: -431.149 where: short stacking energy: -202.404 Base-Backbone interact. energy: -0.210 local terms energy: -245.378955 where: bonds (distance) C4'-P energy: -53.085 bonds (distance) P-C4' energy: -56.458 flat angles C4'-P-C4' energy: -53.414 flat angles P-C4'-P energy: -41.645 tors. eta vs tors. theta energy: -40.777 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: 4 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -354.691962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.691962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.691962 (E_RNA) where: Base-Base interactions energy: -142.111 where: short stacking energy: -102.424 Base-Backbone interact. energy: -2.982 local terms energy: -209.599728 where: bonds (distance) C4'-P energy: -62.750 bonds (distance) P-C4' energy: -64.146 flat angles C4'-P-C4' energy: -41.952 flat angles P-C4'-P energy: -27.272 tors. eta vs tors. theta energy: -13.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -338.857625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.857625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.857625 (E_RNA) where: Base-Base interactions energy: -163.501 where: short stacking energy: -78.871 Base-Backbone interact. energy: 2.845 local terms energy: -178.201519 where: bonds (distance) C4'-P energy: -46.839 bonds (distance) P-C4' energy: -58.425 flat angles C4'-P-C4' energy: -51.011 flat angles P-C4'-P energy: -33.037 tors. eta vs tors. theta energy: 11.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -262.770207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.770207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.770207 (E_RNA) where: Base-Base interactions energy: -90.002 where: short stacking energy: -66.271 Base-Backbone interact. energy: -2.216 local terms energy: -170.551753 where: bonds (distance) C4'-P energy: -65.469 bonds (distance) P-C4' energy: -54.358 flat angles C4'-P-C4' energy: -36.506 flat angles P-C4'-P energy: -33.424 tors. eta vs tors. theta energy: 19.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -1079.423473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.423473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.423473 (E_RNA) where: Base-Base interactions energy: -753.668 where: short stacking energy: -317.202 Base-Backbone interact. energy: -0.947 local terms energy: -324.808634 where: bonds (distance) C4'-P energy: -62.402 bonds (distance) P-C4' energy: -63.463 flat angles C4'-P-C4' energy: -68.609 flat angles P-C4'-P energy: -37.874 tors. eta vs tors. theta energy: -92.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -1033.372009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.372009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.372009 (E_RNA) where: Base-Base interactions energy: -711.249 where: short stacking energy: -309.148 Base-Backbone interact. energy: 3.091 local terms energy: -325.213616 where: bonds (distance) C4'-P energy: -63.267 bonds (distance) P-C4' energy: -63.012 flat angles C4'-P-C4' energy: -69.900 flat angles P-C4'-P energy: -40.995 tors. eta vs tors. theta energy: -88.039 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: 2 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -988.526101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.526101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.526101 (E_RNA) where: Base-Base interactions energy: -662.890 where: short stacking energy: -296.657 Base-Backbone interact. energy: -0.426 local terms energy: -325.209977 where: bonds (distance) C4'-P energy: -63.594 bonds (distance) P-C4' energy: -58.726 flat angles C4'-P-C4' energy: -67.234 flat angles P-C4'-P energy: -47.516 tors. eta vs tors. theta energy: -88.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -965.512979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.512979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.512979 (E_RNA) where: Base-Base interactions energy: -648.509 where: short stacking energy: -280.409 Base-Backbone interact. energy: -1.178 local terms energy: -315.825827 where: bonds (distance) C4'-P energy: -59.859 bonds (distance) P-C4' energy: -63.535 flat angles C4'-P-C4' energy: -72.131 flat angles P-C4'-P energy: -41.845 tors. eta vs tors. theta energy: -78.455 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: 7 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -852.666477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.666477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.666477 (E_RNA) where: Base-Base interactions energy: -551.520 where: short stacking energy: -257.229 Base-Backbone interact. energy: -0.149 local terms energy: -300.997695 where: bonds (distance) C4'-P energy: -61.282 bonds (distance) P-C4' energy: -58.110 flat angles C4'-P-C4' energy: -64.376 flat angles P-C4'-P energy: -43.273 tors. eta vs tors. theta energy: -73.956 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: 6, replica: 6 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -708.112651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.112651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.112651 (E_RNA) where: Base-Base interactions energy: -442.918 where: short stacking energy: -197.063 Base-Backbone interact. energy: 0.369 local terms energy: -265.563222 where: bonds (distance) C4'-P energy: -52.005 bonds (distance) P-C4' energy: -58.218 flat angles C4'-P-C4' energy: -62.190 flat angles P-C4'-P energy: -41.666 tors. eta vs tors. theta energy: -51.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -609.701919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.701919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.701919 (E_RNA) where: Base-Base interactions energy: -359.019 where: short stacking energy: -181.365 Base-Backbone interact. energy: 1.077 local terms energy: -251.760651 where: bonds (distance) C4'-P energy: -52.859 bonds (distance) P-C4' energy: -69.331 flat angles C4'-P-C4' energy: -53.952 flat angles P-C4'-P energy: -33.909 tors. eta vs tors. theta energy: -41.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -371.624842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.624842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.624842 (E_RNA) where: Base-Base interactions energy: -179.414 where: short stacking energy: -121.880 Base-Backbone interact. energy: -0.913 local terms energy: -191.297893 where: bonds (distance) C4'-P energy: -37.586 bonds (distance) P-C4' energy: -60.422 flat angles C4'-P-C4' energy: -48.206 flat angles P-C4'-P energy: -29.314 tors. eta vs tors. theta energy: -15.770 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: 1 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -340.938258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.938258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.938258 (E_RNA) where: Base-Base interactions energy: -162.889 where: short stacking energy: -95.678 Base-Backbone interact. energy: -1.331 local terms energy: -176.718656 where: bonds (distance) C4'-P energy: -49.158 bonds (distance) P-C4' energy: -50.793 flat angles C4'-P-C4' energy: -49.840 flat angles P-C4'-P energy: -28.412 tors. eta vs tors. theta energy: 1.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -321.718939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.718939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.718939 (E_RNA) where: Base-Base interactions energy: -150.091 where: short stacking energy: -107.326 Base-Backbone interact. energy: -0.524 local terms energy: -171.104385 where: bonds (distance) C4'-P energy: -37.854 bonds (distance) P-C4' energy: -57.899 flat angles C4'-P-C4' energy: -31.955 flat angles P-C4'-P energy: -30.102 tors. eta vs tors. theta energy: -13.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -1104.113087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.113087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.113087 (E_RNA) where: Base-Base interactions energy: -763.653 where: short stacking energy: -302.714 Base-Backbone interact. energy: -1.052 local terms energy: -339.408481 where: bonds (distance) C4'-P energy: -66.546 bonds (distance) P-C4' energy: -61.453 flat angles C4'-P-C4' energy: -67.396 flat angles P-C4'-P energy: -50.628 tors. eta vs tors. theta energy: -93.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -1027.218256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.218256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.218256 (E_RNA) where: Base-Base interactions energy: -714.158 where: short stacking energy: -299.356 Base-Backbone interact. energy: -2.236 local terms energy: -310.824348 where: bonds (distance) C4'-P energy: -63.266 bonds (distance) P-C4' energy: -55.017 flat angles C4'-P-C4' energy: -61.657 flat angles P-C4'-P energy: -47.971 tors. eta vs tors. theta energy: -82.914 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: 8 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -964.719601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.719601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.719601 (E_RNA) where: Base-Base interactions energy: -644.508 where: short stacking energy: -286.177 Base-Backbone interact. energy: -0.519 local terms energy: -319.692834 where: bonds (distance) C4'-P energy: -56.245 bonds (distance) P-C4' energy: -68.841 flat angles C4'-P-C4' energy: -65.860 flat angles P-C4'-P energy: -51.570 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: 4, replica: 2 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -969.050650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.050650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.050650 (E_RNA) where: Base-Base interactions energy: -643.863 where: short stacking energy: -305.098 Base-Backbone interact. energy: -2.635 local terms energy: -322.552157 where: bonds (distance) C4'-P energy: -59.155 bonds (distance) P-C4' energy: -59.153 flat angles C4'-P-C4' energy: -69.236 flat angles P-C4'-P energy: -45.777 tors. eta vs tors. theta energy: -89.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -824.219872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.219872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.219872 (E_RNA) where: Base-Base interactions energy: -533.177 where: short stacking energy: -230.225 Base-Backbone interact. energy: -2.533 local terms energy: -288.510484 where: bonds (distance) C4'-P energy: -59.674 bonds (distance) P-C4' energy: -58.444 flat angles C4'-P-C4' energy: -60.333 flat angles P-C4'-P energy: -45.812 tors. eta vs tors. theta energy: -64.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -737.171267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.171267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.171267 (E_RNA) where: Base-Base interactions energy: -464.975 where: short stacking energy: -210.325 Base-Backbone interact. energy: -0.421 local terms energy: -271.774901 where: bonds (distance) C4'-P energy: -56.472 bonds (distance) P-C4' energy: -62.987 flat angles C4'-P-C4' energy: -63.368 flat angles P-C4'-P energy: -43.417 tors. eta vs tors. theta energy: -45.531 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: 3 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -606.625972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.625972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.625972 (E_RNA) where: Base-Base interactions energy: -366.483 where: short stacking energy: -177.938 Base-Backbone interact. energy: -0.287 local terms energy: -239.856165 where: bonds (distance) C4'-P energy: -52.965 bonds (distance) P-C4' energy: -60.346 flat angles C4'-P-C4' energy: -61.608 flat angles P-C4'-P energy: -29.644 tors. eta vs tors. theta energy: -35.292 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: 8, replica: 4 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -374.473296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.473296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.473296 (E_RNA) where: Base-Base interactions energy: -176.042 where: short stacking energy: -130.719 Base-Backbone interact. energy: -1.374 local terms energy: -197.057921 where: bonds (distance) C4'-P energy: -59.344 bonds (distance) P-C4' energy: -59.458 flat angles C4'-P-C4' energy: -43.893 flat angles P-C4'-P energy: -28.080 tors. eta vs tors. theta energy: -6.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -333.265781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.265781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.265781 (E_RNA) where: Base-Base interactions energy: -148.147 where: short stacking energy: -107.977 Base-Backbone interact. energy: 1.394 local terms energy: -186.513381 where: bonds (distance) C4'-P energy: -58.519 bonds (distance) P-C4' energy: -56.066 flat angles C4'-P-C4' energy: -51.845 flat angles P-C4'-P energy: -27.216 tors. eta vs tors. theta energy: 7.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -326.687126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.687126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.687126 (E_RNA) where: Base-Base interactions energy: -138.138 where: short stacking energy: -92.417 Base-Backbone interact. energy: -0.701 local terms energy: -187.848877 where: bonds (distance) C4'-P energy: -45.219 bonds (distance) P-C4' energy: -56.773 flat angles C4'-P-C4' energy: -59.424 flat angles P-C4'-P energy: -22.897 tors. eta vs tors. theta energy: -3.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -1083.359740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.359740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.359740 (E_RNA) where: Base-Base interactions energy: -733.327 where: short stacking energy: -301.808 Base-Backbone interact. energy: -1.324 local terms energy: -348.709125 where: bonds (distance) C4'-P energy: -76.046 bonds (distance) P-C4' energy: -59.532 flat angles C4'-P-C4' energy: -76.300 flat angles P-C4'-P energy: -43.892 tors. eta vs tors. theta energy: -92.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -1041.707121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.707121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.707121 (E_RNA) where: Base-Base interactions energy: -704.698 where: short stacking energy: -307.769 Base-Backbone interact. energy: -3.204 local terms energy: -333.805215 where: bonds (distance) C4'-P energy: -59.095 bonds (distance) P-C4' energy: -66.109 flat angles C4'-P-C4' energy: -75.499 flat angles P-C4'-P energy: -50.166 tors. eta vs tors. theta energy: -82.937 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: 8 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -1002.207865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.207865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.207865 (E_RNA) where: Base-Base interactions energy: -673.889 where: short stacking energy: -303.292 Base-Backbone interact. energy: -1.879 local terms energy: -326.439459 where: bonds (distance) C4'-P energy: -66.476 bonds (distance) P-C4' energy: -59.879 flat angles C4'-P-C4' energy: -69.949 flat angles P-C4'-P energy: -43.664 tors. eta vs tors. theta energy: -86.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -982.840950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.840950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.840950 (E_RNA) where: Base-Base interactions energy: -658.092 where: short stacking energy: -299.522 Base-Backbone interact. energy: 1.088 local terms energy: -325.836064 where: bonds (distance) C4'-P energy: -54.590 bonds (distance) P-C4' energy: -64.758 flat angles C4'-P-C4' energy: -71.848 flat angles P-C4'-P energy: -44.986 tors. eta vs tors. theta energy: -89.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -852.236562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.236562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.236562 (E_RNA) where: Base-Base interactions energy: -561.225 where: short stacking energy: -259.863 Base-Backbone interact. energy: 0.585 local terms energy: -291.595771 where: bonds (distance) C4'-P energy: -54.843 bonds (distance) P-C4' energy: -63.844 flat angles C4'-P-C4' energy: -61.418 flat angles P-C4'-P energy: -42.693 tors. eta vs tors. theta energy: -68.799 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: 6 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -723.024476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.024476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.024476 (E_RNA) where: Base-Base interactions energy: -466.490 where: short stacking energy: -211.275 Base-Backbone interact. energy: -1.889 local terms energy: -254.645788 where: bonds (distance) C4'-P energy: -56.775 bonds (distance) P-C4' energy: -56.994 flat angles C4'-P-C4' energy: -61.330 flat angles P-C4'-P energy: -28.504 tors. eta vs tors. theta energy: -51.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -582.618850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.618850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.618850 (E_RNA) where: Base-Base interactions energy: -335.809 where: short stacking energy: -170.580 Base-Backbone interact. energy: -1.141 local terms energy: -245.668657 where: bonds (distance) C4'-P energy: -48.094 bonds (distance) P-C4' energy: -56.925 flat angles C4'-P-C4' energy: -60.852 flat angles P-C4'-P energy: -45.310 tors. eta vs tors. theta energy: -34.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -340.685683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.685683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.685683 (E_RNA) where: Base-Base interactions energy: -147.501 where: short stacking energy: -106.404 Base-Backbone interact. energy: 0.202 local terms energy: -193.386039 where: bonds (distance) C4'-P energy: -47.018 bonds (distance) P-C4' energy: -60.680 flat angles C4'-P-C4' energy: -46.416 flat angles P-C4'-P energy: -33.782 tors. eta vs tors. theta energy: -5.490 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: 9, replica: 10 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -338.773478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.773478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.773478 (E_RNA) where: Base-Base interactions energy: -155.616 where: short stacking energy: -97.903 Base-Backbone interact. energy: 0.523 local terms energy: -183.679944 where: bonds (distance) C4'-P energy: -43.994 bonds (distance) P-C4' energy: -62.071 flat angles C4'-P-C4' energy: -51.311 flat angles P-C4'-P energy: -25.608 tors. eta vs tors. theta energy: -0.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -354.755239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.755239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.755239 (E_RNA) where: Base-Base interactions energy: -180.910 where: short stacking energy: -100.938 Base-Backbone interact. energy: 0.901 local terms energy: -174.746421 where: bonds (distance) C4'-P energy: -49.394 bonds (distance) P-C4' energy: -56.649 flat angles C4'-P-C4' energy: -47.199 flat angles P-C4'-P energy: -18.906 tors. eta vs tors. theta energy: -2.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -1085.014421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.014421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.014421 (E_RNA) where: Base-Base interactions energy: -748.519 where: short stacking energy: -320.232 Base-Backbone interact. energy: -2.404 local terms energy: -334.091157 where: bonds (distance) C4'-P energy: -57.605 bonds (distance) P-C4' energy: -71.750 flat angles C4'-P-C4' energy: -63.522 flat angles P-C4'-P energy: -48.751 tors. eta vs tors. theta energy: -92.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -1040.838395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.838395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.838395 (E_RNA) where: Base-Base interactions energy: -730.567 where: short stacking energy: -298.535 Base-Backbone interact. energy: 1.810 local terms energy: -312.081240 where: bonds (distance) C4'-P energy: -52.573 bonds (distance) P-C4' energy: -64.230 flat angles C4'-P-C4' energy: -70.024 flat angles P-C4'-P energy: -42.941 tors. eta vs tors. theta energy: -82.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -995.212144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.212144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.212144 (E_RNA) where: Base-Base interactions energy: -661.443 where: short stacking energy: -280.121 Base-Backbone interact. energy: -0.640 local terms energy: -333.128783 where: bonds (distance) C4'-P energy: -55.533 bonds (distance) P-C4' energy: -71.037 flat angles C4'-P-C4' energy: -75.646 flat angles P-C4'-P energy: -48.861 tors. eta vs tors. theta energy: -82.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -943.934109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.934109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.934109 (E_RNA) where: Base-Base interactions energy: -635.979 where: short stacking energy: -279.800 Base-Backbone interact. energy: -1.378 local terms energy: -306.576822 where: bonds (distance) C4'-P energy: -47.731 bonds (distance) P-C4' energy: -61.358 flat angles C4'-P-C4' energy: -74.661 flat angles P-C4'-P energy: -41.470 tors. eta vs tors. theta energy: -81.357 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: 7 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -860.071243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.071243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.071243 (E_RNA) where: Base-Base interactions energy: -573.788 where: short stacking energy: -249.844 Base-Backbone interact. energy: 0.559 local terms energy: -286.842915 where: bonds (distance) C4'-P energy: -58.092 bonds (distance) P-C4' energy: -58.158 flat angles C4'-P-C4' energy: -61.664 flat angles P-C4'-P energy: -45.426 tors. eta vs tors. theta energy: -63.503 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: 6 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -706.651781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.651781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.651781 (E_RNA) where: Base-Base interactions energy: -435.791 where: short stacking energy: -212.302 Base-Backbone interact. energy: -0.808 local terms energy: -270.052887 where: bonds (distance) C4'-P energy: -56.676 bonds (distance) P-C4' energy: -60.969 flat angles C4'-P-C4' energy: -59.164 flat angles P-C4'-P energy: -40.791 tors. eta vs tors. theta energy: -52.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -593.460396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.460396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.460396 (E_RNA) where: Base-Base interactions energy: -342.588 where: short stacking energy: -163.310 Base-Backbone interact. energy: -1.499 local terms energy: -249.373123 where: bonds (distance) C4'-P energy: -63.570 bonds (distance) P-C4' energy: -55.024 flat angles C4'-P-C4' energy: -67.077 flat angles P-C4'-P energy: -33.817 tors. eta vs tors. theta energy: -29.885 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: 4 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -356.252627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.252627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.252627 (E_RNA) where: Base-Base interactions energy: -152.858 where: short stacking energy: -116.427 Base-Backbone interact. energy: -0.876 local terms energy: -202.518055 where: bonds (distance) C4'-P energy: -41.038 bonds (distance) P-C4' energy: -69.070 flat angles C4'-P-C4' energy: -49.907 flat angles P-C4'-P energy: -33.960 tors. eta vs tors. theta energy: -8.544 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: 1 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -355.129464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.129464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.129464 (E_RNA) where: Base-Base interactions energy: -166.587 where: short stacking energy: -96.094 Base-Backbone interact. energy: -0.561 local terms energy: -187.982071 where: bonds (distance) C4'-P energy: -54.154 bonds (distance) P-C4' energy: -61.702 flat angles C4'-P-C4' energy: -46.249 flat angles P-C4'-P energy: -27.474 tors. eta vs tors. theta energy: 1.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -256.107846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.107846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.107846 (E_RNA) where: Base-Base interactions energy: -107.206 where: short stacking energy: -78.463 Base-Backbone interact. energy: -0.255 local terms energy: -148.646629 where: bonds (distance) C4'-P energy: -41.109 bonds (distance) P-C4' energy: -54.392 flat angles C4'-P-C4' energy: -38.791 flat angles P-C4'-P energy: -16.708 tors. eta vs tors. theta energy: 2.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -1086.006488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.006488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.006488 (E_RNA) where: Base-Base interactions energy: -750.390 where: short stacking energy: -324.461 Base-Backbone interact. energy: -0.931 local terms energy: -334.684905 where: bonds (distance) C4'-P energy: -56.628 bonds (distance) P-C4' energy: -68.873 flat angles C4'-P-C4' energy: -75.189 flat angles P-C4'-P energy: -49.420 tors. eta vs tors. theta energy: -84.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -1024.282440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.282440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.282440 (E_RNA) where: Base-Base interactions energy: -707.604 where: short stacking energy: -293.494 Base-Backbone interact. energy: 0.422 local terms energy: -317.100250 where: bonds (distance) C4'-P energy: -62.184 bonds (distance) P-C4' energy: -58.927 flat angles C4'-P-C4' energy: -66.414 flat angles P-C4'-P energy: -47.958 tors. eta vs tors. theta energy: -81.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -982.155789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.155789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.155789 (E_RNA) where: Base-Base interactions energy: -653.193 where: short stacking energy: -292.571 Base-Backbone interact. energy: -1.446 local terms energy: -327.516692 where: bonds (distance) C4'-P energy: -57.260 bonds (distance) P-C4' energy: -73.702 flat angles C4'-P-C4' energy: -71.174 flat angles P-C4'-P energy: -49.787 tors. eta vs tors. theta energy: -75.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -915.974552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.974552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.974552 (E_RNA) where: Base-Base interactions energy: -623.871 where: short stacking energy: -263.047 Base-Backbone interact. energy: 2.393 local terms energy: -294.496367 where: bonds (distance) C4'-P energy: -61.598 bonds (distance) P-C4' energy: -59.443 flat angles C4'-P-C4' energy: -59.609 flat angles P-C4'-P energy: -42.488 tors. eta vs tors. theta energy: -71.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -828.782500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.782500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.782500 (E_RNA) where: Base-Base interactions energy: -519.078 where: short stacking energy: -235.574 Base-Backbone interact. energy: -1.868 local terms energy: -307.835947 where: bonds (distance) C4'-P energy: -62.282 bonds (distance) P-C4' energy: -64.884 flat angles C4'-P-C4' energy: -62.017 flat angles P-C4'-P energy: -54.146 tors. eta vs tors. theta energy: -64.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -669.748117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.748117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.748117 (E_RNA) where: Base-Base interactions energy: -420.473 where: short stacking energy: -202.388 Base-Backbone interact. energy: 0.083 local terms energy: -249.358173 where: bonds (distance) C4'-P energy: -57.162 bonds (distance) P-C4' energy: -45.584 flat angles C4'-P-C4' energy: -60.982 flat angles P-C4'-P energy: -41.414 tors. eta vs tors. theta energy: -44.217 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: 3 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -588.383481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.383481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.383481 (E_RNA) where: Base-Base interactions energy: -349.956 where: short stacking energy: -181.311 Base-Backbone interact. energy: -0.335 local terms energy: -238.093136 where: bonds (distance) C4'-P energy: -45.911 bonds (distance) P-C4' energy: -52.205 flat angles C4'-P-C4' energy: -62.448 flat angles P-C4'-P energy: -41.785 tors. eta vs tors. theta energy: -35.743 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: 63 Temperature: 1.250000 Total energy: -393.613057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.613057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.613057 (E_RNA) where: Base-Base interactions energy: -192.929 where: short stacking energy: -110.874 Base-Backbone interact. energy: -1.716 local terms energy: -198.967869 where: bonds (distance) C4'-P energy: -51.354 bonds (distance) P-C4' energy: -57.912 flat angles C4'-P-C4' energy: -59.502 flat angles P-C4'-P energy: -21.702 tors. eta vs tors. theta energy: -8.498 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: 4 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -364.762385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.762385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.762385 (E_RNA) where: Base-Base interactions energy: -153.239 where: short stacking energy: -99.190 Base-Backbone interact. energy: 2.699 local terms energy: -214.222270 where: bonds (distance) C4'-P energy: -53.536 bonds (distance) P-C4' energy: -61.256 flat angles C4'-P-C4' energy: -45.532 flat angles P-C4'-P energy: -25.534 tors. eta vs tors. theta energy: -28.364 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: 10, replica: 10 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -320.308564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.308564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.308564 (E_RNA) where: Base-Base interactions energy: -135.335 where: short stacking energy: -82.451 Base-Backbone interact. energy: -1.323 local terms energy: -183.650132 where: bonds (distance) C4'-P energy: -48.015 bonds (distance) P-C4' energy: -62.524 flat angles C4'-P-C4' energy: -54.915 flat angles P-C4'-P energy: -23.618 tors. eta vs tors. theta energy: 5.422 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: 9 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -1105.481155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.481155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.481155 (E_RNA) where: Base-Base interactions energy: -771.919 where: short stacking energy: -339.889 Base-Backbone interact. energy: -2.162 local terms energy: -331.400675 where: bonds (distance) C4'-P energy: -63.623 bonds (distance) P-C4' energy: -59.174 flat angles C4'-P-C4' energy: -73.138 flat angles P-C4'-P energy: -41.829 tors. eta vs tors. theta energy: -93.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -1040.614646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.614646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.614646 (E_RNA) where: Base-Base interactions energy: -717.999 where: short stacking energy: -317.315 Base-Backbone interact. energy: 2.052 local terms energy: -324.666691 where: bonds (distance) C4'-P energy: -56.698 bonds (distance) P-C4' energy: -64.543 flat angles C4'-P-C4' energy: -72.658 flat angles P-C4'-P energy: -48.789 tors. eta vs tors. theta energy: -81.978 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: 2 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -1004.056641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.056641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.056641 (E_RNA) where: Base-Base interactions energy: -680.375 where: short stacking energy: -299.196 Base-Backbone interact. energy: 2.361 local terms energy: -326.041862 where: bonds (distance) C4'-P energy: -60.328 bonds (distance) P-C4' energy: -67.105 flat angles C4'-P-C4' energy: -73.681 flat angles P-C4'-P energy: -43.615 tors. eta vs tors. theta energy: -81.312 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: 8 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -939.723493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.723493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.723493 (E_RNA) where: Base-Base interactions energy: -631.689 where: short stacking energy: -264.809 Base-Backbone interact. energy: 0.894 local terms energy: -308.927962 where: bonds (distance) C4'-P energy: -54.076 bonds (distance) P-C4' energy: -62.655 flat angles C4'-P-C4' energy: -69.098 flat angles P-C4'-P energy: -45.099 tors. eta vs tors. theta energy: -78.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -793.780101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.780101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.780101 (E_RNA) where: Base-Base interactions energy: -519.130 where: short stacking energy: -231.110 Base-Backbone interact. energy: -0.215 local terms energy: -274.434833 where: bonds (distance) C4'-P energy: -59.486 bonds (distance) P-C4' energy: -60.878 flat angles C4'-P-C4' energy: -62.884 flat angles P-C4'-P energy: -35.831 tors. eta vs tors. theta energy: -55.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -673.115691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.115691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.115691 (E_RNA) where: Base-Base interactions energy: -442.058 where: short stacking energy: -211.976 Base-Backbone interact. energy: -0.300 local terms energy: -230.757669 where: bonds (distance) C4'-P energy: -47.164 bonds (distance) P-C4' energy: -49.544 flat angles C4'-P-C4' energy: -63.163 flat angles P-C4'-P energy: -34.079 tors. eta vs tors. theta energy: -36.807 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: 3 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -633.535884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.535884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.535884 (E_RNA) where: Base-Base interactions energy: -390.438 where: short stacking energy: -183.155 Base-Backbone interact. energy: 1.614 local terms energy: -244.712105 where: bonds (distance) C4'-P energy: -63.596 bonds (distance) P-C4' energy: -56.049 flat angles C4'-P-C4' energy: -61.765 flat angles P-C4'-P energy: -27.093 tors. eta vs tors. theta energy: -36.209 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: 64 Temperature: 1.250000 Total energy: -407.186497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.186497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.186497 (E_RNA) where: Base-Base interactions energy: -185.744 where: short stacking energy: -114.391 Base-Backbone interact. energy: -1.057 local terms energy: -220.384862 where: bonds (distance) C4'-P energy: -55.416 bonds (distance) P-C4' energy: -65.339 flat angles C4'-P-C4' energy: -55.299 flat angles P-C4'-P energy: -33.113 tors. eta vs tors. theta energy: -11.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -298.275047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.275047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.275047 (E_RNA) where: Base-Base interactions energy: -122.043 where: short stacking energy: -91.951 Base-Backbone interact. energy: -1.470 local terms energy: -174.761952 where: bonds (distance) C4'-P energy: -36.641 bonds (distance) P-C4' energy: -57.525 flat angles C4'-P-C4' energy: -45.267 flat angles P-C4'-P energy: -38.721 tors. eta vs tors. theta energy: 3.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -263.646232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.646232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.646232 (E_RNA) where: Base-Base interactions energy: -98.632 where: short stacking energy: -98.443 Base-Backbone interact. energy: 5.014 local terms energy: -170.028195 where: bonds (distance) C4'-P energy: -52.614 bonds (distance) P-C4' energy: -47.935 flat angles C4'-P-C4' energy: -39.231 flat angles P-C4'-P energy: -31.021 tors. eta vs tors. theta energy: 0.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -1102.648874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.648874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.648874 (E_RNA) where: Base-Base interactions energy: -754.671 where: short stacking energy: -321.733 Base-Backbone interact. energy: -0.127 local terms energy: -347.850688 where: bonds (distance) C4'-P energy: -71.734 bonds (distance) P-C4' energy: -67.112 flat angles C4'-P-C4' energy: -72.585 flat angles P-C4'-P energy: -43.283 tors. eta vs tors. theta energy: -93.137 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: 5 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -1049.834858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.834858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.834858 (E_RNA) where: Base-Base interactions energy: -738.364 where: short stacking energy: -319.248 Base-Backbone interact. energy: -2.139 local terms energy: -309.332053 where: bonds (distance) C4'-P energy: -59.302 bonds (distance) P-C4' energy: -62.107 flat angles C4'-P-C4' energy: -64.132 flat angles P-C4'-P energy: -46.105 tors. eta vs tors. theta energy: -77.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -989.663246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.663246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.663246 (E_RNA) where: Base-Base interactions energy: -667.356 where: short stacking energy: -295.490 Base-Backbone interact. energy: -0.999 local terms energy: -321.307635 where: bonds (distance) C4'-P energy: -65.957 bonds (distance) P-C4' energy: -60.517 flat angles C4'-P-C4' energy: -67.988 flat angles P-C4'-P energy: -38.013 tors. eta vs tors. theta energy: -88.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -923.361454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.361454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.361454 (E_RNA) where: Base-Base interactions energy: -623.958 where: short stacking energy: -262.691 Base-Backbone interact. energy: -0.282 local terms energy: -299.121329 where: bonds (distance) C4'-P energy: -63.995 bonds (distance) P-C4' energy: -63.028 flat angles C4'-P-C4' energy: -58.378 flat angles P-C4'-P energy: -36.513 tors. eta vs tors. theta energy: -77.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -812.958587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.958587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.958587 (E_RNA) where: Base-Base interactions energy: -531.600 where: short stacking energy: -234.518 Base-Backbone interact. energy: -2.476 local terms energy: -278.882402 where: bonds (distance) C4'-P energy: -45.253 bonds (distance) P-C4' energy: -67.281 flat angles C4'-P-C4' energy: -66.341 flat angles P-C4'-P energy: -46.937 tors. eta vs tors. theta energy: -53.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -684.155317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.155317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.155317 (E_RNA) where: Base-Base interactions energy: -433.880 where: short stacking energy: -205.822 Base-Backbone interact. energy: -2.427 local terms energy: -247.848503 where: bonds (distance) C4'-P energy: -56.808 bonds (distance) P-C4' energy: -51.409 flat angles C4'-P-C4' energy: -65.407 flat angles P-C4'-P energy: -25.952 tors. eta vs tors. theta energy: -48.271 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: 3 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -578.970937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.970937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.970937 (E_RNA) where: Base-Base interactions energy: -370.704 where: short stacking energy: -188.870 Base-Backbone interact. energy: 1.259 local terms energy: -209.525440 where: bonds (distance) C4'-P energy: -45.174 bonds (distance) P-C4' energy: -54.220 flat angles C4'-P-C4' energy: -46.238 flat angles P-C4'-P energy: -36.604 tors. eta vs tors. theta energy: -27.289 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: 1 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -379.327403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.327403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.327403 (E_RNA) where: Base-Base interactions energy: -187.516 where: short stacking energy: -129.451 Base-Backbone interact. energy: -0.539 local terms energy: -191.272611 where: bonds (distance) C4'-P energy: -47.612 bonds (distance) P-C4' energy: -57.207 flat angles C4'-P-C4' energy: -46.855 flat angles P-C4'-P energy: -22.383 tors. eta vs tors. theta energy: -17.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -295.886859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.886859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.886859 (E_RNA) where: Base-Base interactions energy: -116.444 where: short stacking energy: -111.680 Base-Backbone interact. energy: 2.145 local terms energy: -181.588205 where: bonds (distance) C4'-P energy: -52.089 bonds (distance) P-C4' energy: -48.001 flat angles C4'-P-C4' energy: -44.347 flat angles P-C4'-P energy: -37.137 tors. eta vs tors. theta energy: -0.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -287.888260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.888260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.888260 (E_RNA) where: Base-Base interactions energy: -116.276 where: short stacking energy: -80.884 Base-Backbone interact. energy: 2.778 local terms energy: -174.389573 where: bonds (distance) C4'-P energy: -50.581 bonds (distance) P-C4' energy: -58.280 flat angles C4'-P-C4' energy: -53.071 flat angles P-C4'-P energy: -18.410 tors. eta vs tors. theta energy: 5.952 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: 9 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -1093.685725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.685725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.685725 (E_RNA) where: Base-Base interactions energy: -767.944 where: short stacking energy: -339.769 Base-Backbone interact. energy: -0.017 local terms energy: -325.724409 where: bonds (distance) C4'-P energy: -54.254 bonds (distance) P-C4' energy: -59.543 flat angles C4'-P-C4' energy: -68.121 flat angles P-C4'-P energy: -48.461 tors. eta vs tors. theta energy: -95.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -1026.934375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.934375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.934375 (E_RNA) where: Base-Base interactions energy: -702.858 where: short stacking energy: -299.770 Base-Backbone interact. energy: -1.642 local terms energy: -322.434911 where: bonds (distance) C4'-P energy: -68.164 bonds (distance) P-C4' energy: -56.268 flat angles C4'-P-C4' energy: -70.460 flat angles P-C4'-P energy: -50.237 tors. eta vs tors. theta energy: -77.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -985.097694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.097694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.097694 (E_RNA) where: Base-Base interactions energy: -679.244 where: short stacking energy: -288.389 Base-Backbone interact. energy: -0.050 local terms energy: -305.804231 where: bonds (distance) C4'-P energy: -64.050 bonds (distance) P-C4' energy: -56.711 flat angles C4'-P-C4' energy: -61.811 flat angles P-C4'-P energy: -40.968 tors. eta vs tors. theta energy: -82.264 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: 4, replica: 8 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -924.883787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.883787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.883787 (E_RNA) where: Base-Base interactions energy: -615.942 where: short stacking energy: -255.475 Base-Backbone interact. energy: -1.274 local terms energy: -307.667701 where: bonds (distance) C4'-P energy: -60.981 bonds (distance) P-C4' energy: -65.636 flat angles C4'-P-C4' energy: -67.689 flat angles P-C4'-P energy: -41.812 tors. eta vs tors. theta energy: -71.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -828.686029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.686029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.686029 (E_RNA) where: Base-Base interactions energy: -538.719 where: short stacking energy: -248.058 Base-Backbone interact. energy: -2.624 local terms energy: -287.343253 where: bonds (distance) C4'-P energy: -62.428 bonds (distance) P-C4' energy: -66.222 flat angles C4'-P-C4' energy: -60.303 flat angles P-C4'-P energy: -36.837 tors. eta vs tors. theta energy: -61.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -688.547293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.547293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.547293 (E_RNA) where: Base-Base interactions energy: -433.498 where: short stacking energy: -198.737 Base-Backbone interact. energy: 0.825 local terms energy: -255.875195 where: bonds (distance) C4'-P energy: -48.482 bonds (distance) P-C4' energy: -54.483 flat angles C4'-P-C4' energy: -57.054 flat angles P-C4'-P energy: -41.376 tors. eta vs tors. theta energy: -54.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -637.200751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.200751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.200751 (E_RNA) where: Base-Base interactions energy: -390.336 where: short stacking energy: -189.371 Base-Backbone interact. energy: -0.652 local terms energy: -246.213028 where: bonds (distance) C4'-P energy: -57.486 bonds (distance) P-C4' energy: -62.026 flat angles C4'-P-C4' energy: -48.999 flat angles P-C4'-P energy: -43.816 tors. eta vs tors. theta energy: -33.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -382.229383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.229383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.229383 (E_RNA) where: Base-Base interactions energy: -184.554 where: short stacking energy: -108.425 Base-Backbone interact. energy: -1.303 local terms energy: -196.372933 where: bonds (distance) C4'-P energy: -51.325 bonds (distance) P-C4' energy: -60.820 flat angles C4'-P-C4' energy: -52.898 flat angles P-C4'-P energy: -20.590 tors. eta vs tors. theta energy: -10.741 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: 9, replica: 4 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -355.723587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.723587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.723587 (E_RNA) where: Base-Base interactions energy: -149.596 where: short stacking energy: -87.056 Base-Backbone interact. energy: -0.896 local terms energy: -205.231060 where: bonds (distance) C4'-P energy: -56.234 bonds (distance) P-C4' energy: -56.919 flat angles C4'-P-C4' energy: -55.601 flat angles P-C4'-P energy: -19.384 tors. eta vs tors. theta energy: -17.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -293.824495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.824495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.824495 (E_RNA) where: Base-Base interactions energy: -134.316 where: short stacking energy: -84.425 Base-Backbone interact. energy: 5.083 local terms energy: -164.591794 where: bonds (distance) C4'-P energy: -51.208 bonds (distance) P-C4' energy: -44.263 flat angles C4'-P-C4' energy: -48.826 flat angles P-C4'-P energy: -25.385 tors. eta vs tors. theta energy: 5.090 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: 1, replica: 9 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -1086.258016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.258016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.258016 (E_RNA) where: Base-Base interactions energy: -750.760 where: short stacking energy: -310.985 Base-Backbone interact. energy: -4.021 local terms energy: -331.476924 where: bonds (distance) C4'-P energy: -57.627 bonds (distance) P-C4' energy: -65.066 flat angles C4'-P-C4' energy: -69.957 flat angles P-C4'-P energy: -49.019 tors. eta vs tors. theta energy: -89.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -1026.468695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.468695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.468695 (E_RNA) where: Base-Base interactions energy: -706.339 where: short stacking energy: -306.304 Base-Backbone interact. energy: -1.154 local terms energy: -318.975636 where: bonds (distance) C4'-P energy: -57.095 bonds (distance) P-C4' energy: -67.800 flat angles C4'-P-C4' energy: -69.019 flat angles P-C4'-P energy: -41.643 tors. eta vs tors. theta energy: -83.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -988.340550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.340550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.340550 (E_RNA) where: Base-Base interactions energy: -688.839 where: short stacking energy: -292.954 Base-Backbone interact. energy: 0.950 local terms energy: -300.451333 where: bonds (distance) C4'-P energy: -55.935 bonds (distance) P-C4' energy: -66.410 flat angles C4'-P-C4' energy: -57.173 flat angles P-C4'-P energy: -44.756 tors. eta vs tors. theta energy: -76.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -901.805382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.805382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.805382 (E_RNA) where: Base-Base interactions energy: -604.952 where: short stacking energy: -254.270 Base-Backbone interact. energy: -0.005 local terms energy: -296.847786 where: bonds (distance) C4'-P energy: -59.903 bonds (distance) P-C4' energy: -65.983 flat angles C4'-P-C4' energy: -58.879 flat angles P-C4'-P energy: -41.842 tors. eta vs tors. theta energy: -70.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -835.374590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.374590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.374590 (E_RNA) where: Base-Base interactions energy: -540.829 where: short stacking energy: -246.107 Base-Backbone interact. energy: -0.302 local terms energy: -294.243800 where: bonds (distance) C4'-P energy: -58.977 bonds (distance) P-C4' energy: -59.036 flat angles C4'-P-C4' energy: -65.522 flat angles P-C4'-P energy: -42.311 tors. eta vs tors. theta energy: -68.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -673.937750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.937750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.937750 (E_RNA) where: Base-Base interactions energy: -432.833 where: short stacking energy: -197.955 Base-Backbone interact. energy: -0.738 local terms energy: -240.366803 where: bonds (distance) C4'-P energy: -46.762 bonds (distance) P-C4' energy: -56.017 flat angles C4'-P-C4' energy: -51.792 flat angles P-C4'-P energy: -39.298 tors. eta vs tors. theta energy: -46.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -628.206271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.206271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.206271 (E_RNA) where: Base-Base interactions energy: -408.556 where: short stacking energy: -186.426 Base-Backbone interact. energy: 5.396 local terms energy: -225.046679 where: bonds (distance) C4'-P energy: -41.028 bonds (distance) P-C4' energy: -52.606 flat angles C4'-P-C4' energy: -50.850 flat angles P-C4'-P energy: -49.827 tors. eta vs tors. theta energy: -30.735 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: 67 Temperature: 1.250000 Total energy: -393.527392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.527392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.527392 (E_RNA) where: Base-Base interactions energy: -212.131 where: short stacking energy: -118.622 Base-Backbone interact. energy: -0.633 local terms energy: -180.763080 where: bonds (distance) C4'-P energy: -53.467 bonds (distance) P-C4' energy: -50.962 flat angles C4'-P-C4' energy: -33.515 flat angles P-C4'-P energy: -37.046 tors. eta vs tors. theta energy: -5.773 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: 4 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -349.802815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.802815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.802815 (E_RNA) where: Base-Base interactions energy: -170.134 where: short stacking energy: -91.146 Base-Backbone interact. energy: 2.183 local terms energy: -181.852389 where: bonds (distance) C4'-P energy: -39.978 bonds (distance) P-C4' energy: -61.456 flat angles C4'-P-C4' energy: -51.942 flat angles P-C4'-P energy: -26.926 tors. eta vs tors. theta energy: -1.550 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: 67 Temperature: 1.350000 Total energy: -258.056898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.056898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.056898 (E_RNA) where: Base-Base interactions energy: -93.160 where: short stacking energy: -85.068 Base-Backbone interact. energy: -0.057 local terms energy: -164.838982 where: bonds (distance) C4'-P energy: -55.927 bonds (distance) P-C4' energy: -51.540 flat angles C4'-P-C4' energy: -38.977 flat angles P-C4'-P energy: -20.671 tors. eta vs tors. theta energy: 2.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -1102.996325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.996325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.996325 (E_RNA) where: Base-Base interactions energy: -765.454 where: short stacking energy: -318.067 Base-Backbone interact. energy: -0.518 local terms energy: -337.025036 where: bonds (distance) C4'-P energy: -60.192 bonds (distance) P-C4' energy: -73.356 flat angles C4'-P-C4' energy: -68.318 flat angles P-C4'-P energy: -40.106 tors. eta vs tors. theta energy: -95.054 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: 5 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -1033.303940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.303940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.303940 (E_RNA) where: Base-Base interactions energy: -706.512 where: short stacking energy: -294.780 Base-Backbone interact. energy: -1.866 local terms energy: -324.925739 where: bonds (distance) C4'-P energy: -68.843 bonds (distance) P-C4' energy: -66.200 flat angles C4'-P-C4' energy: -65.801 flat angles P-C4'-P energy: -41.490 tors. eta vs tors. theta energy: -82.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -1006.151216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.151216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.151216 (E_RNA) where: Base-Base interactions energy: -687.382 where: short stacking energy: -308.536 Base-Backbone interact. energy: 2.977 local terms energy: -321.745567 where: bonds (distance) C4'-P energy: -62.967 bonds (distance) P-C4' energy: -66.512 flat angles C4'-P-C4' energy: -66.781 flat angles P-C4'-P energy: -43.328 tors. eta vs tors. theta energy: -82.158 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: 4, replica: 8 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -933.818461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.818461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.818461 (E_RNA) where: Base-Base interactions energy: -632.270 where: short stacking energy: -271.869 Base-Backbone interact. energy: 0.010 local terms energy: -301.558267 where: bonds (distance) C4'-P energy: -53.907 bonds (distance) P-C4' energy: -60.240 flat angles C4'-P-C4' energy: -66.545 flat angles P-C4'-P energy: -46.670 tors. eta vs tors. theta energy: -74.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -838.430052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.430052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.430052 (E_RNA) where: Base-Base interactions energy: -548.370 where: short stacking energy: -255.351 Base-Backbone interact. energy: -1.183 local terms energy: -288.877084 where: bonds (distance) C4'-P energy: -55.111 bonds (distance) P-C4' energy: -59.766 flat angles C4'-P-C4' energy: -64.027 flat angles P-C4'-P energy: -38.619 tors. eta vs tors. theta energy: -71.355 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: 3 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -687.350960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.350960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.350960 (E_RNA) where: Base-Base interactions energy: -403.530 where: short stacking energy: -209.039 Base-Backbone interact. energy: -0.861 local terms energy: -282.959879 where: bonds (distance) C4'-P energy: -56.689 bonds (distance) P-C4' energy: -65.293 flat angles C4'-P-C4' energy: -63.632 flat angles P-C4'-P energy: -42.429 tors. eta vs tors. theta energy: -54.916 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: 6 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -660.128559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.128559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.128559 (E_RNA) where: Base-Base interactions energy: -402.270 where: short stacking energy: -170.176 Base-Backbone interact. energy: -1.374 local terms energy: -256.483797 where: bonds (distance) C4'-P energy: -54.312 bonds (distance) P-C4' energy: -59.876 flat angles C4'-P-C4' energy: -61.496 flat angles P-C4'-P energy: -40.871 tors. eta vs tors. theta energy: -39.929 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: 68 Temperature: 1.250000 Total energy: -433.739255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.739255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.739255 (E_RNA) where: Base-Base interactions energy: -224.249 where: short stacking energy: -137.637 Base-Backbone interact. energy: -0.126 local terms energy: -209.364058 where: bonds (distance) C4'-P energy: -65.509 bonds (distance) P-C4' energy: -56.348 flat angles C4'-P-C4' energy: -57.150 flat angles P-C4'-P energy: -10.222 tors. eta vs tors. theta energy: -20.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -280.858103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.858103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.858103 (E_RNA) where: Base-Base interactions energy: -119.184 where: short stacking energy: -85.282 Base-Backbone interact. energy: 4.391 local terms energy: -166.065084 where: bonds (distance) C4'-P energy: -50.450 bonds (distance) P-C4' energy: -64.756 flat angles C4'-P-C4' energy: -38.338 flat angles P-C4'-P energy: -23.540 tors. eta vs tors. theta energy: 11.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -253.291452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.291452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.291452 (E_RNA) where: Base-Base interactions energy: -90.110 where: short stacking energy: -59.985 Base-Backbone interact. energy: -1.592 local terms energy: -161.588936 where: bonds (distance) C4'-P energy: -58.894 bonds (distance) P-C4' energy: -48.613 flat angles C4'-P-C4' energy: -45.845 flat angles P-C4'-P energy: -19.699 tors. eta vs tors. theta energy: 11.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -1088.036870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.036870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.036870 (E_RNA) where: Base-Base interactions energy: -760.046 where: short stacking energy: -334.321 Base-Backbone interact. energy: -0.713 local terms energy: -327.277333 where: bonds (distance) C4'-P energy: -52.069 bonds (distance) P-C4' energy: -62.946 flat angles C4'-P-C4' energy: -70.230 flat angles P-C4'-P energy: -49.039 tors. eta vs tors. theta energy: -92.994 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: 2 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -1006.682630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.682630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.682630 (E_RNA) where: Base-Base interactions energy: -673.709 where: short stacking energy: -297.847 Base-Backbone interact. energy: -1.134 local terms energy: -331.839191 where: bonds (distance) C4'-P energy: -63.213 bonds (distance) P-C4' energy: -67.824 flat angles C4'-P-C4' energy: -71.225 flat angles P-C4'-P energy: -42.326 tors. eta vs tors. theta energy: -87.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -997.382067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.382067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.382067 (E_RNA) where: Base-Base interactions energy: -683.802 where: short stacking energy: -301.358 Base-Backbone interact. energy: -1.286 local terms energy: -312.294331 where: bonds (distance) C4'-P energy: -52.215 bonds (distance) P-C4' energy: -65.545 flat angles C4'-P-C4' energy: -62.313 flat angles P-C4'-P energy: -46.997 tors. eta vs tors. theta energy: -85.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -925.957601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.957601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.957601 (E_RNA) where: Base-Base interactions energy: -606.440 where: short stacking energy: -273.544 Base-Backbone interact. energy: -0.125 local terms energy: -319.392144 where: bonds (distance) C4'-P energy: -61.491 bonds (distance) P-C4' energy: -62.051 flat angles C4'-P-C4' energy: -67.674 flat angles P-C4'-P energy: -49.351 tors. eta vs tors. theta energy: -78.826 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: 7 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -828.625562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.625562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.625562 (E_RNA) where: Base-Base interactions energy: -556.738 where: short stacking energy: -233.718 Base-Backbone interact. energy: -2.449 local terms energy: -269.438316 where: bonds (distance) C4'-P energy: -49.584 bonds (distance) P-C4' energy: -58.654 flat angles C4'-P-C4' energy: -62.683 flat angles P-C4'-P energy: -37.022 tors. eta vs tors. theta energy: -61.495 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: 6 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -725.246115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.246115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.246115 (E_RNA) where: Base-Base interactions energy: -472.286 where: short stacking energy: -207.093 Base-Backbone interact. energy: -0.698 local terms energy: -252.262298 where: bonds (distance) C4'-P energy: -60.528 bonds (distance) P-C4' energy: -46.613 flat angles C4'-P-C4' energy: -62.130 flat angles P-C4'-P energy: -30.417 tors. eta vs tors. theta energy: -52.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -662.006796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.006796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.006796 (E_RNA) where: Base-Base interactions energy: -409.292 where: short stacking energy: -183.538 Base-Backbone interact. energy: -1.074 local terms energy: -251.641246 where: bonds (distance) C4'-P energy: -47.371 bonds (distance) P-C4' energy: -61.241 flat angles C4'-P-C4' energy: -60.297 flat angles P-C4'-P energy: -36.142 tors. eta vs tors. theta energy: -46.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -386.489605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.489605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.489605 (E_RNA) where: Base-Base interactions energy: -186.167 where: short stacking energy: -106.463 Base-Backbone interact. energy: -0.952 local terms energy: -199.370230 where: bonds (distance) C4'-P energy: -52.266 bonds (distance) P-C4' energy: -66.208 flat angles C4'-P-C4' energy: -50.450 flat angles P-C4'-P energy: -29.471 tors. eta vs tors. theta energy: -0.975 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: 10 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -295.374963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.374963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.374963 (E_RNA) where: Base-Base interactions energy: -123.147 where: short stacking energy: -110.179 Base-Backbone interact. energy: -0.302 local terms energy: -171.925532 where: bonds (distance) C4'-P energy: -59.521 bonds (distance) P-C4' energy: -51.140 flat angles C4'-P-C4' energy: -34.222 flat angles P-C4'-P energy: -31.036 tors. eta vs tors. theta energy: 3.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -320.868207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.868207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.868207 (E_RNA) where: Base-Base interactions energy: -137.779 where: short stacking energy: -96.543 Base-Backbone interact. energy: 0.617 local terms energy: -183.706454 where: bonds (distance) C4'-P energy: -50.937 bonds (distance) P-C4' energy: -43.216 flat angles C4'-P-C4' energy: -50.013 flat angles P-C4'-P energy: -36.148 tors. eta vs tors. theta energy: -3.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -1112.895362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.895362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.895362 (E_RNA) where: Base-Base interactions energy: -788.811 where: short stacking energy: -335.169 Base-Backbone interact. energy: -1.320 local terms energy: -322.764076 where: bonds (distance) C4'-P energy: -57.652 bonds (distance) P-C4' energy: -56.805 flat angles C4'-P-C4' energy: -70.025 flat angles P-C4'-P energy: -43.442 tors. eta vs tors. theta energy: -94.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -1003.979821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.979821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.979821 (E_RNA) where: Base-Base interactions energy: -674.945 where: short stacking energy: -321.223 Base-Backbone interact. energy: -1.659 local terms energy: -327.376008 where: bonds (distance) C4'-P energy: -58.145 bonds (distance) P-C4' energy: -58.548 flat angles C4'-P-C4' energy: -70.947 flat angles P-C4'-P energy: -46.450 tors. eta vs tors. theta energy: -93.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -976.028297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.028297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.028297 (E_RNA) where: Base-Base interactions energy: -666.354 where: short stacking energy: -291.634 Base-Backbone interact. energy: -0.848 local terms energy: -308.826258 where: bonds (distance) C4'-P energy: -63.207 bonds (distance) P-C4' energy: -61.632 flat angles C4'-P-C4' energy: -71.237 flat angles P-C4'-P energy: -38.762 tors. eta vs tors. theta energy: -73.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -972.196248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.196248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.196248 (E_RNA) where: Base-Base interactions energy: -655.637 where: short stacking energy: -280.689 Base-Backbone interact. energy: -1.173 local terms energy: -315.386507 where: bonds (distance) C4'-P energy: -67.275 bonds (distance) P-C4' energy: -59.570 flat angles C4'-P-C4' energy: -57.291 flat angles P-C4'-P energy: -46.486 tors. eta vs tors. theta energy: -84.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -825.469878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.469878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.469878 (E_RNA) where: Base-Base interactions energy: -547.757 where: short stacking energy: -225.533 Base-Backbone interact. energy: -1.699 local terms energy: -276.014189 where: bonds (distance) C4'-P energy: -48.844 bonds (distance) P-C4' energy: -54.600 flat angles C4'-P-C4' energy: -59.754 flat angles P-C4'-P energy: -49.631 tors. eta vs tors. theta energy: -63.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -741.558804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.558804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.558804 (E_RNA) where: Base-Base interactions energy: -488.211 where: short stacking energy: -206.922 Base-Backbone interact. energy: -0.650 local terms energy: -252.698216 where: bonds (distance) C4'-P energy: -58.916 bonds (distance) P-C4' energy: -50.818 flat angles C4'-P-C4' energy: -53.210 flat angles P-C4'-P energy: -38.226 tors. eta vs tors. theta energy: -51.528 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: 7, replica: 3 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -657.108851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.108851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.108851 (E_RNA) where: Base-Base interactions energy: -431.928 where: short stacking energy: -190.318 Base-Backbone interact. energy: 1.121 local terms energy: -226.301396 where: bonds (distance) C4'-P energy: -53.006 bonds (distance) P-C4' energy: -52.551 flat angles C4'-P-C4' energy: -54.549 flat angles P-C4'-P energy: -28.772 tors. eta vs tors. theta energy: -37.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -359.648068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.648068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.648068 (E_RNA) where: Base-Base interactions energy: -179.708 where: short stacking energy: -100.868 Base-Backbone interact. energy: -1.938 local terms energy: -178.002843 where: bonds (distance) C4'-P energy: -48.507 bonds (distance) P-C4' energy: -52.433 flat angles C4'-P-C4' energy: -53.618 flat angles P-C4'-P energy: -20.928 tors. eta vs tors. theta energy: -2.518 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: 4 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -292.417064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.417064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.417064 (E_RNA) where: Base-Base interactions energy: -111.204 where: short stacking energy: -89.498 Base-Backbone interact. energy: 0.612 local terms energy: -181.825112 where: bonds (distance) C4'-P energy: -46.684 bonds (distance) P-C4' energy: -50.048 flat angles C4'-P-C4' energy: -48.360 flat angles P-C4'-P energy: -34.720 tors. eta vs tors. theta energy: -2.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -264.825889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.825889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.825889 (E_RNA) where: Base-Base interactions energy: -75.292 where: short stacking energy: -64.450 Base-Backbone interact. energy: 0.453 local terms energy: -189.987211 where: bonds (distance) C4'-P energy: -60.641 bonds (distance) P-C4' energy: -57.200 flat angles C4'-P-C4' energy: -50.818 flat angles P-C4'-P energy: -33.002 tors. eta vs tors. theta energy: 11.673 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: 1, replica: 9 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -1102.682286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.682286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.682286 (E_RNA) where: Base-Base interactions energy: -761.813 where: short stacking energy: -332.092 Base-Backbone interact. energy: -1.745 local terms energy: -339.124075 where: bonds (distance) C4'-P energy: -63.031 bonds (distance) P-C4' energy: -65.369 flat angles C4'-P-C4' energy: -67.183 flat angles P-C4'-P energy: -44.609 tors. eta vs tors. theta energy: -98.932 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: 2 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -984.094578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.094578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.094578 (E_RNA) where: Base-Base interactions energy: -649.877 where: short stacking energy: -308.502 Base-Backbone interact. energy: -3.598 local terms energy: -330.619892 where: bonds (distance) C4'-P energy: -58.762 bonds (distance) P-C4' energy: -61.643 flat angles C4'-P-C4' energy: -72.449 flat angles P-C4'-P energy: -46.698 tors. eta vs tors. theta energy: -91.067 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: 5 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -979.451293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.451293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.451293 (E_RNA) where: Base-Base interactions energy: -656.068 where: short stacking energy: -277.642 Base-Backbone interact. energy: -1.307 local terms energy: -322.076491 where: bonds (distance) C4'-P energy: -67.450 bonds (distance) P-C4' energy: -64.894 flat angles C4'-P-C4' energy: -68.220 flat angles P-C4'-P energy: -47.750 tors. eta vs tors. theta energy: -73.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -888.685964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.685964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.685964 (E_RNA) where: Base-Base interactions energy: -592.671 where: short stacking energy: -261.504 Base-Backbone interact. energy: -1.350 local terms energy: -294.665046 where: bonds (distance) C4'-P energy: -67.742 bonds (distance) P-C4' energy: -63.732 flat angles C4'-P-C4' energy: -61.497 flat angles P-C4'-P energy: -37.890 tors. eta vs tors. theta energy: -63.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -878.338053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.338053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.338053 (E_RNA) where: Base-Base interactions energy: -588.478 where: short stacking energy: -265.160 Base-Backbone interact. energy: -0.898 local terms energy: -288.962135 where: bonds (distance) C4'-P energy: -52.752 bonds (distance) P-C4' energy: -60.356 flat angles C4'-P-C4' energy: -68.543 flat angles P-C4'-P energy: -33.783 tors. eta vs tors. theta energy: -73.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -763.248155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.248155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.248155 (E_RNA) where: Base-Base interactions energy: -496.830 where: short stacking energy: -211.742 Base-Backbone interact. energy: -1.067 local terms energy: -265.351292 where: bonds (distance) C4'-P energy: -45.565 bonds (distance) P-C4' energy: -57.757 flat angles C4'-P-C4' energy: -65.037 flat angles P-C4'-P energy: -42.828 tors. eta vs tors. theta energy: -54.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -707.719715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.719715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.719715 (E_RNA) where: Base-Base interactions energy: -439.855 where: short stacking energy: -222.778 Base-Backbone interact. energy: 1.552 local terms energy: -269.416588 where: bonds (distance) C4'-P energy: -62.706 bonds (distance) P-C4' energy: -58.535 flat angles C4'-P-C4' energy: -55.550 flat angles P-C4'-P energy: -33.696 tors. eta vs tors. theta energy: -58.929 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: 71 Temperature: 1.250000 Total energy: -355.736336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.736336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.736336 (E_RNA) where: Base-Base interactions energy: -160.292 where: short stacking energy: -99.635 Base-Backbone interact. energy: 0.546 local terms energy: -195.990503 where: bonds (distance) C4'-P energy: -50.874 bonds (distance) P-C4' energy: -65.508 flat angles C4'-P-C4' energy: -57.578 flat angles P-C4'-P energy: -19.951 tors. eta vs tors. theta energy: -2.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -285.351222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.351222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.351222 (E_RNA) where: Base-Base interactions energy: -101.974 where: short stacking energy: -83.472 Base-Backbone interact. energy: -1.901 local terms energy: -181.475566 where: bonds (distance) C4'-P energy: -50.119 bonds (distance) P-C4' energy: -55.619 flat angles C4'-P-C4' energy: -47.195 flat angles P-C4'-P energy: -38.866 tors. eta vs tors. theta energy: 10.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -274.095242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.095242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.095242 (E_RNA) where: Base-Base interactions energy: -96.621 where: short stacking energy: -73.466 Base-Backbone interact. energy: -0.364 local terms energy: -177.110158 where: bonds (distance) C4'-P energy: -53.390 bonds (distance) P-C4' energy: -49.874 flat angles C4'-P-C4' energy: -39.720 flat angles P-C4'-P energy: -40.064 tors. eta vs tors. theta energy: 5.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -1107.786451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.786451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.786451 (E_RNA) where: Base-Base interactions energy: -754.937 where: short stacking energy: -319.163 Base-Backbone interact. energy: -2.546 local terms energy: -350.303465 where: bonds (distance) C4'-P energy: -64.964 bonds (distance) P-C4' energy: -65.687 flat angles C4'-P-C4' energy: -77.353 flat angles P-C4'-P energy: -48.740 tors. eta vs tors. theta energy: -93.560 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: 2 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -1001.138108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.138108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.138108 (E_RNA) where: Base-Base interactions energy: -664.302 where: short stacking energy: -320.286 Base-Backbone interact. energy: -2.529 local terms energy: -334.306817 where: bonds (distance) C4'-P energy: -58.367 bonds (distance) P-C4' energy: -63.386 flat angles C4'-P-C4' energy: -74.495 flat angles P-C4'-P energy: -46.753 tors. eta vs tors. theta energy: -91.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -960.958467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.958467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.958467 (E_RNA) where: Base-Base interactions energy: -661.038 where: short stacking energy: -282.789 Base-Backbone interact. energy: -2.184 local terms energy: -297.736100 where: bonds (distance) C4'-P energy: -61.589 bonds (distance) P-C4' energy: -63.317 flat angles C4'-P-C4' energy: -64.319 flat angles P-C4'-P energy: -35.559 tors. eta vs tors. theta energy: -72.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -886.090922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.090922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.090922 (E_RNA) where: Base-Base interactions energy: -589.350 where: short stacking energy: -271.626 Base-Backbone interact. energy: -1.554 local terms energy: -295.186732 where: bonds (distance) C4'-P energy: -50.069 bonds (distance) P-C4' energy: -52.989 flat angles C4'-P-C4' energy: -68.908 flat angles P-C4'-P energy: -46.447 tors. eta vs tors. theta energy: -76.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -888.399505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.399505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.399505 (E_RNA) where: Base-Base interactions energy: -577.926 where: short stacking energy: -262.465 Base-Backbone interact. energy: 2.460 local terms energy: -312.933770 where: bonds (distance) C4'-P energy: -60.174 bonds (distance) P-C4' energy: -62.121 flat angles C4'-P-C4' energy: -67.261 flat angles P-C4'-P energy: -43.804 tors. eta vs tors. theta energy: -79.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -775.851903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.851903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.851903 (E_RNA) where: Base-Base interactions energy: -504.949 where: short stacking energy: -210.693 Base-Backbone interact. energy: -0.479 local terms energy: -270.424236 where: bonds (distance) C4'-P energy: -58.735 bonds (distance) P-C4' energy: -50.621 flat angles C4'-P-C4' energy: -68.505 flat angles P-C4'-P energy: -40.017 tors. eta vs tors. theta energy: -52.546 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: 3 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -685.148283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.148283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.148283 (E_RNA) where: Base-Base interactions energy: -438.559 where: short stacking energy: -216.713 Base-Backbone interact. energy: -1.997 local terms energy: -244.592142 where: bonds (distance) C4'-P energy: -49.562 bonds (distance) P-C4' energy: -56.556 flat angles C4'-P-C4' energy: -52.916 flat angles P-C4'-P energy: -40.500 tors. eta vs tors. theta energy: -45.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -424.936268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.936268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.936268 (E_RNA) where: Base-Base interactions energy: -221.912 where: short stacking energy: -136.566 Base-Backbone interact. energy: -0.396 local terms energy: -202.628226 where: bonds (distance) C4'-P energy: -45.845 bonds (distance) P-C4' energy: -58.198 flat angles C4'-P-C4' energy: -51.839 flat angles P-C4'-P energy: -31.970 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: 9, replica: 10 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -314.353600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.353600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.353600 (E_RNA) where: Base-Base interactions energy: -130.104 where: short stacking energy: -100.671 Base-Backbone interact. energy: 0.515 local terms energy: -184.764329 where: bonds (distance) C4'-P energy: -47.655 bonds (distance) P-C4' energy: -55.410 flat angles C4'-P-C4' energy: -46.052 flat angles P-C4'-P energy: -28.289 tors. eta vs tors. theta energy: -7.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -264.559060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.559060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.559060 (E_RNA) where: Base-Base interactions energy: -93.887 where: short stacking energy: -63.001 Base-Backbone interact. energy: -2.292 local terms energy: -168.379914 where: bonds (distance) C4'-P energy: -53.292 bonds (distance) P-C4' energy: -56.526 flat angles C4'-P-C4' energy: -43.698 flat angles P-C4'-P energy: -20.489 tors. eta vs tors. theta energy: 5.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -1095.652879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.652879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.652879 (E_RNA) where: Base-Base interactions energy: -765.186 where: short stacking energy: -323.122 Base-Backbone interact. energy: -2.112 local terms energy: -328.354776 where: bonds (distance) C4'-P energy: -53.712 bonds (distance) P-C4' energy: -55.812 flat angles C4'-P-C4' energy: -69.733 flat angles P-C4'-P energy: -49.481 tors. eta vs tors. theta energy: -99.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -983.589318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.589318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.589318 (E_RNA) where: Base-Base interactions energy: -664.426 where: short stacking energy: -275.598 Base-Backbone interact. energy: -2.030 local terms energy: -317.133033 where: bonds (distance) C4'-P energy: -59.629 bonds (distance) P-C4' energy: -66.948 flat angles C4'-P-C4' energy: -63.884 flat angles P-C4'-P energy: -49.722 tors. eta vs tors. theta energy: -76.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -964.767671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.767671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.767671 (E_RNA) where: Base-Base interactions energy: -646.951 where: short stacking energy: -293.395 Base-Backbone interact. energy: -0.487 local terms energy: -317.329757 where: bonds (distance) C4'-P energy: -61.656 bonds (distance) P-C4' energy: -66.900 flat angles C4'-P-C4' energy: -65.766 flat angles P-C4'-P energy: -41.810 tors. eta vs tors. theta energy: -81.198 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: 4, replica: 8 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -925.153553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.153553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.153553 (E_RNA) where: Base-Base interactions energy: -617.289 where: short stacking energy: -279.004 Base-Backbone interact. energy: -0.790 local terms energy: -307.074830 where: bonds (distance) C4'-P energy: -62.515 bonds (distance) P-C4' energy: -48.497 flat angles C4'-P-C4' energy: -73.572 flat angles P-C4'-P energy: -47.583 tors. eta vs tors. theta energy: -74.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -829.163205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.163205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.163205 (E_RNA) where: Base-Base interactions energy: -565.621 where: short stacking energy: -249.076 Base-Backbone interact. energy: -0.902 local terms energy: -262.640387 where: bonds (distance) C4'-P energy: -53.799 bonds (distance) P-C4' energy: -50.741 flat angles C4'-P-C4' energy: -62.215 flat angles P-C4'-P energy: -34.945 tors. eta vs tors. theta energy: -60.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -785.903484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.903484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.903484 (E_RNA) where: Base-Base interactions energy: -534.229 where: short stacking energy: -224.814 Base-Backbone interact. energy: -1.500 local terms energy: -250.174286 where: bonds (distance) C4'-P energy: -40.872 bonds (distance) P-C4' energy: -63.694 flat angles C4'-P-C4' energy: -63.429 flat angles P-C4'-P energy: -26.313 tors. eta vs tors. theta energy: -55.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -654.407021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.407021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.407021 (E_RNA) where: Base-Base interactions energy: -427.986 where: short stacking energy: -196.360 Base-Backbone interact. energy: -1.965 local terms energy: -224.455782 where: bonds (distance) C4'-P energy: -42.104 bonds (distance) P-C4' energy: -54.783 flat angles C4'-P-C4' energy: -60.579 flat angles P-C4'-P energy: -26.599 tors. eta vs tors. theta energy: -40.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -467.567220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.567220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.567220 (E_RNA) where: Base-Base interactions energy: -273.894 where: short stacking energy: -118.917 Base-Backbone interact. energy: 0.171 local terms energy: -193.843498 where: bonds (distance) C4'-P energy: -56.110 bonds (distance) P-C4' energy: -59.553 flat angles C4'-P-C4' energy: -33.668 flat angles P-C4'-P energy: -35.702 tors. eta vs tors. theta energy: -8.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -302.775335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.775335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.775335 (E_RNA) where: Base-Base interactions energy: -143.335 where: short stacking energy: -108.014 Base-Backbone interact. energy: 3.979 local terms energy: -163.419727 where: bonds (distance) C4'-P energy: -38.461 bonds (distance) P-C4' energy: -51.101 flat angles C4'-P-C4' energy: -54.544 flat angles P-C4'-P energy: -17.643 tors. eta vs tors. theta energy: -1.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -247.521468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -247.521468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -247.521468 (E_RNA) where: Base-Base interactions energy: -73.051 where: short stacking energy: -71.656 Base-Backbone interact. energy: -0.938 local terms energy: -173.532560 where: bonds (distance) C4'-P energy: -53.230 bonds (distance) P-C4' energy: -50.362 flat angles C4'-P-C4' energy: -45.472 flat angles P-C4'-P energy: -31.938 tors. eta vs tors. theta energy: 7.470 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: 74 Temperature: 0.900000 Total energy: -1097.089460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.089460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.089460 (E_RNA) where: Base-Base interactions energy: -760.546 where: short stacking energy: -313.104 Base-Backbone interact. energy: -2.948 local terms energy: -333.596123 where: bonds (distance) C4'-P energy: -59.102 bonds (distance) P-C4' energy: -58.827 flat angles C4'-P-C4' energy: -72.612 flat angles P-C4'-P energy: -49.901 tors. eta vs tors. theta energy: -93.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -1007.621769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.621769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.621769 (E_RNA) where: Base-Base interactions energy: -686.249 where: short stacking energy: -282.028 Base-Backbone interact. energy: -3.005 local terms energy: -318.367634 where: bonds (distance) C4'-P energy: -58.872 bonds (distance) P-C4' energy: -64.529 flat angles C4'-P-C4' energy: -70.645 flat angles P-C4'-P energy: -49.747 tors. eta vs tors. theta energy: -74.575 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: 2 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -940.075277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.075277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.075277 (E_RNA) where: Base-Base interactions energy: -637.586 where: short stacking energy: -289.982 Base-Backbone interact. energy: -2.130 local terms energy: -300.359321 where: bonds (distance) C4'-P energy: -57.420 bonds (distance) P-C4' energy: -57.485 flat angles C4'-P-C4' energy: -65.462 flat angles P-C4'-P energy: -33.528 tors. eta vs tors. theta energy: -86.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -919.138941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.138941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.138941 (E_RNA) where: Base-Base interactions energy: -631.360 where: short stacking energy: -264.470 Base-Backbone interact. energy: -1.414 local terms energy: -286.365135 where: bonds (distance) C4'-P energy: -59.519 bonds (distance) P-C4' energy: -52.809 flat angles C4'-P-C4' energy: -69.943 flat angles P-C4'-P energy: -26.904 tors. eta vs tors. theta energy: -77.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -822.476610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.476610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.476610 (E_RNA) where: Base-Base interactions energy: -539.415 where: short stacking energy: -210.935 Base-Backbone interact. energy: -2.527 local terms energy: -280.535121 where: bonds (distance) C4'-P energy: -66.019 bonds (distance) P-C4' energy: -54.519 flat angles C4'-P-C4' energy: -63.694 flat angles P-C4'-P energy: -42.959 tors. eta vs tors. theta energy: -53.344 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: 6 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -771.816511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.816511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.816511 (E_RNA) where: Base-Base interactions energy: -515.463 where: short stacking energy: -221.442 Base-Backbone interact. energy: -2.974 local terms energy: -253.378659 where: bonds (distance) C4'-P energy: -48.286 bonds (distance) P-C4' energy: -56.476 flat angles C4'-P-C4' energy: -57.594 flat angles P-C4'-P energy: -35.885 tors. eta vs tors. theta energy: -55.138 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: 7, replica: 3 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -642.529862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.529862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.529862 (E_RNA) where: Base-Base interactions energy: -402.091 where: short stacking energy: -199.348 Base-Backbone interact. energy: -0.294 local terms energy: -240.144554 where: bonds (distance) C4'-P energy: -44.036 bonds (distance) P-C4' energy: -58.495 flat angles C4'-P-C4' energy: -59.650 flat angles P-C4'-P energy: -32.333 tors. eta vs tors. theta energy: -45.630 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: 74 Temperature: 1.250000 Total energy: -455.465595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.465595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.465595 (E_RNA) where: Base-Base interactions energy: -268.860 where: short stacking energy: -143.127 Base-Backbone interact. energy: -1.527 local terms energy: -185.078731 where: bonds (distance) C4'-P energy: -40.087 bonds (distance) P-C4' energy: -51.243 flat angles C4'-P-C4' energy: -52.430 flat angles P-C4'-P energy: -24.891 tors. eta vs tors. theta energy: -16.428 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: 10 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -354.105561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.105561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.105561 (E_RNA) where: Base-Base interactions energy: -177.577 where: short stacking energy: -121.599 Base-Backbone interact. energy: -0.738 local terms energy: -175.790258 where: bonds (distance) C4'-P energy: -45.059 bonds (distance) P-C4' energy: -48.893 flat angles C4'-P-C4' energy: -55.426 flat angles P-C4'-P energy: -23.271 tors. eta vs tors. theta energy: -3.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -286.261504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.261504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.261504 (E_RNA) where: Base-Base interactions energy: -119.646 where: short stacking energy: -84.359 Base-Backbone interact. energy: 1.567 local terms energy: -168.182508 where: bonds (distance) C4'-P energy: -56.141 bonds (distance) P-C4' energy: -53.004 flat angles C4'-P-C4' energy: -39.604 flat angles P-C4'-P energy: -20.736 tors. eta vs tors. theta energy: 1.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -1095.586896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.586896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.586896 (E_RNA) where: Base-Base interactions energy: -757.920 where: short stacking energy: -314.554 Base-Backbone interact. energy: -0.360 local terms energy: -337.306520 where: bonds (distance) C4'-P energy: -64.999 bonds (distance) P-C4' energy: -63.314 flat angles C4'-P-C4' energy: -63.631 flat angles P-C4'-P energy: -50.512 tors. eta vs tors. theta energy: -94.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -1014.889914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.889914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.889914 (E_RNA) where: Base-Base interactions energy: -682.335 where: short stacking energy: -296.304 Base-Backbone interact. energy: -3.155 local terms energy: -329.399617 where: bonds (distance) C4'-P energy: -69.039 bonds (distance) P-C4' energy: -70.531 flat angles C4'-P-C4' energy: -66.207 flat angles P-C4'-P energy: -43.838 tors. eta vs tors. theta energy: -79.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -987.777361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.777361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.777361 (E_RNA) where: Base-Base interactions energy: -685.131 where: short stacking energy: -314.518 Base-Backbone interact. energy: 0.402 local terms energy: -303.049022 where: bonds (distance) C4'-P energy: -63.415 bonds (distance) P-C4' energy: -53.713 flat angles C4'-P-C4' energy: -61.247 flat angles P-C4'-P energy: -38.021 tors. eta vs tors. theta energy: -86.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -960.019182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.019182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.019182 (E_RNA) where: Base-Base interactions energy: -636.226 where: short stacking energy: -261.234 Base-Backbone interact. energy: -0.752 local terms energy: -323.041389 where: bonds (distance) C4'-P energy: -64.058 bonds (distance) P-C4' energy: -72.499 flat angles C4'-P-C4' energy: -65.066 flat angles P-C4'-P energy: -44.181 tors. eta vs tors. theta energy: -77.237 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: 5, replica: 7 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -842.067103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.067103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.067103 (E_RNA) where: Base-Base interactions energy: -571.940 where: short stacking energy: -261.004 Base-Backbone interact. energy: -1.254 local terms energy: -268.872535 where: bonds (distance) C4'-P energy: -54.788 bonds (distance) P-C4' energy: -52.194 flat angles C4'-P-C4' energy: -65.593 flat angles P-C4'-P energy: -33.993 tors. eta vs tors. theta energy: -62.304 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: 6 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -792.508244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.508244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.508244 (E_RNA) where: Base-Base interactions energy: -515.897 where: short stacking energy: -212.940 Base-Backbone interact. energy: -0.852 local terms energy: -275.758460 where: bonds (distance) C4'-P energy: -59.095 bonds (distance) P-C4' energy: -56.529 flat angles C4'-P-C4' energy: -66.518 flat angles P-C4'-P energy: -42.954 tors. eta vs tors. theta energy: -50.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -714.265784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.265784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.265784 (E_RNA) where: Base-Base interactions energy: -449.465 where: short stacking energy: -214.136 Base-Backbone interact. energy: 0.673 local terms energy: -265.473177 where: bonds (distance) C4'-P energy: -52.555 bonds (distance) P-C4' energy: -66.835 flat angles C4'-P-C4' energy: -50.858 flat angles P-C4'-P energy: -35.707 tors. eta vs tors. theta energy: -59.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -476.732488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.732488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.732488 (E_RNA) where: Base-Base interactions energy: -272.001 where: short stacking energy: -112.786 Base-Backbone interact. energy: 2.426 local terms energy: -207.157481 where: bonds (distance) C4'-P energy: -49.464 bonds (distance) P-C4' energy: -56.621 flat angles C4'-P-C4' energy: -45.412 flat angles P-C4'-P energy: -52.432 tors. eta vs tors. theta energy: -3.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -294.248275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.248275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.248275 (E_RNA) where: Base-Base interactions energy: -113.608 where: short stacking energy: -78.729 Base-Backbone interact. energy: -0.862 local terms energy: -179.778304 where: bonds (distance) C4'-P energy: -64.987 bonds (distance) P-C4' energy: -49.220 flat angles C4'-P-C4' energy: -52.462 flat angles P-C4'-P energy: -8.067 tors. eta vs tors. theta energy: -5.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -294.137489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.137489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.137489 (E_RNA) where: Base-Base interactions energy: -108.982 where: short stacking energy: -97.122 Base-Backbone interact. energy: -0.564 local terms energy: -184.591548 where: bonds (distance) C4'-P energy: -54.322 bonds (distance) P-C4' energy: -54.672 flat angles C4'-P-C4' energy: -47.339 flat angles P-C4'-P energy: -25.933 tors. eta vs tors. theta energy: -2.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -1094.914141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.914141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.914141 (E_RNA) where: Base-Base interactions energy: -735.923 where: short stacking energy: -320.483 Base-Backbone interact. energy: 0.693 local terms energy: -359.684228 where: bonds (distance) C4'-P energy: -69.125 bonds (distance) P-C4' energy: -70.380 flat angles C4'-P-C4' energy: -68.119 flat angles P-C4'-P energy: -56.407 tors. eta vs tors. theta energy: -95.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -1000.702103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.702103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.702103 (E_RNA) where: Base-Base interactions energy: -677.403 where: short stacking energy: -292.147 Base-Backbone interact. energy: 1.695 local terms energy: -324.994385 where: bonds (distance) C4'-P energy: -59.839 bonds (distance) P-C4' energy: -69.571 flat angles C4'-P-C4' energy: -62.120 flat angles P-C4'-P energy: -45.383 tors. eta vs tors. theta energy: -88.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -968.684202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.684202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.684202 (E_RNA) where: Base-Base interactions energy: -655.104 where: short stacking energy: -283.361 Base-Backbone interact. energy: -0.744 local terms energy: -312.836550 where: bonds (distance) C4'-P energy: -58.379 bonds (distance) P-C4' energy: -64.675 flat angles C4'-P-C4' energy: -68.159 flat angles P-C4'-P energy: -36.414 tors. eta vs tors. theta energy: -85.210 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: 2 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -959.724641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.724641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.724641 (E_RNA) where: Base-Base interactions energy: -655.932 where: short stacking energy: -308.766 Base-Backbone interact. energy: 1.272 local terms energy: -305.064471 where: bonds (distance) C4'-P energy: -53.688 bonds (distance) P-C4' energy: -59.027 flat angles C4'-P-C4' energy: -66.638 flat angles P-C4'-P energy: -41.294 tors. eta vs tors. theta energy: -84.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -867.121824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.121824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.121824 (E_RNA) where: Base-Base interactions energy: -567.172 where: short stacking energy: -238.546 Base-Backbone interact. energy: -0.795 local terms energy: -299.155201 where: bonds (distance) C4'-P energy: -64.815 bonds (distance) P-C4' energy: -59.210 flat angles C4'-P-C4' energy: -73.075 flat angles P-C4'-P energy: -39.683 tors. eta vs tors. theta energy: -62.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -782.184819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.184819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.184819 (E_RNA) where: Base-Base interactions energy: -495.751 where: short stacking energy: -220.073 Base-Backbone interact. energy: -1.489 local terms energy: -284.945661 where: bonds (distance) C4'-P energy: -61.336 bonds (distance) P-C4' energy: -62.172 flat angles C4'-P-C4' energy: -61.439 flat angles P-C4'-P energy: -42.674 tors. eta vs tors. theta energy: -57.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -692.693925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.693925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.693925 (E_RNA) where: Base-Base interactions energy: -445.279 where: short stacking energy: -206.297 Base-Backbone interact. energy: -1.445 local terms energy: -245.970243 where: bonds (distance) C4'-P energy: -52.182 bonds (distance) P-C4' energy: -53.495 flat angles C4'-P-C4' energy: -57.935 flat angles P-C4'-P energy: -40.355 tors. eta vs tors. theta energy: -42.004 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: 76 Temperature: 1.250000 Total energy: -467.549732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.549732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.549732 (E_RNA) where: Base-Base interactions energy: -276.273 where: short stacking energy: -157.442 Base-Backbone interact. energy: -0.005 local terms energy: -191.271763 where: bonds (distance) C4'-P energy: -45.909 bonds (distance) P-C4' energy: -64.298 flat angles C4'-P-C4' energy: -38.709 flat angles P-C4'-P energy: -19.900 tors. eta vs tors. theta energy: -22.456 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: 10 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -265.228447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.228447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.228447 (E_RNA) where: Base-Base interactions energy: -92.431 where: short stacking energy: -68.785 Base-Backbone interact. energy: -0.397 local terms energy: -172.400352 where: bonds (distance) C4'-P energy: -51.108 bonds (distance) P-C4' energy: -66.432 flat angles C4'-P-C4' energy: -29.389 flat angles P-C4'-P energy: -36.760 tors. eta vs tors. theta energy: 11.289 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: 10, replica: 4 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -275.391034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.391034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.391034 (E_RNA) where: Base-Base interactions energy: -108.478 where: short stacking energy: -95.527 Base-Backbone interact. energy: 4.015 local terms energy: -170.928057 where: bonds (distance) C4'-P energy: -51.800 bonds (distance) P-C4' energy: -58.859 flat angles C4'-P-C4' energy: -51.336 flat angles P-C4'-P energy: -10.803 tors. eta vs tors. theta energy: 1.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -1093.028478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.028478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.028478 (E_RNA) where: Base-Base interactions energy: -762.828 where: short stacking energy: -303.927 Base-Backbone interact. energy: 0.225 local terms energy: -330.425721 where: bonds (distance) C4'-P energy: -60.872 bonds (distance) P-C4' energy: -58.121 flat angles C4'-P-C4' energy: -74.389 flat angles P-C4'-P energy: -52.749 tors. eta vs tors. theta energy: -84.294 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: 8 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -965.860085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.860085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.860085 (E_RNA) where: Base-Base interactions energy: -666.258 where: short stacking energy: -274.987 Base-Backbone interact. energy: -1.270 local terms energy: -298.331848 where: bonds (distance) C4'-P energy: -61.866 bonds (distance) P-C4' energy: -59.310 flat angles C4'-P-C4' energy: -68.939 flat angles P-C4'-P energy: -34.292 tors. eta vs tors. theta energy: -73.925 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: 5 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -968.671705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.671705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.671705 (E_RNA) where: Base-Base interactions energy: -656.232 where: short stacking energy: -287.855 Base-Backbone interact. energy: -0.785 local terms energy: -311.654874 where: bonds (distance) C4'-P energy: -53.284 bonds (distance) P-C4' energy: -68.099 flat angles C4'-P-C4' energy: -69.949 flat angles P-C4'-P energy: -44.005 tors. eta vs tors. theta energy: -76.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -967.398660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.398660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.398660 (E_RNA) where: Base-Base interactions energy: -645.899 where: short stacking energy: -271.546 Base-Backbone interact. energy: -0.780 local terms energy: -320.719295 where: bonds (distance) C4'-P energy: -54.436 bonds (distance) P-C4' energy: -59.947 flat angles C4'-P-C4' energy: -69.612 flat angles P-C4'-P energy: -42.062 tors. eta vs tors. theta energy: -94.663 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: 7 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -889.337016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.337016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.337016 (E_RNA) where: Base-Base interactions energy: -581.170 where: short stacking energy: -263.672 Base-Backbone interact. energy: -3.468 local terms energy: -304.699396 where: bonds (distance) C4'-P energy: -57.024 bonds (distance) P-C4' energy: -67.812 flat angles C4'-P-C4' energy: -58.165 flat angles P-C4'-P energy: -50.349 tors. eta vs tors. theta energy: -71.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -778.167038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.167038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.167038 (E_RNA) where: Base-Base interactions energy: -489.468 where: short stacking energy: -234.259 Base-Backbone interact. energy: -1.995 local terms energy: -286.704471 where: bonds (distance) C4'-P energy: -44.756 bonds (distance) P-C4' energy: -64.169 flat angles C4'-P-C4' energy: -77.017 flat angles P-C4'-P energy: -46.986 tors. eta vs tors. theta energy: -53.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -686.133076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.133076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.133076 (E_RNA) where: Base-Base interactions energy: -436.750 where: short stacking energy: -206.824 Base-Backbone interact. energy: -1.344 local terms energy: -248.039569 where: bonds (distance) C4'-P energy: -56.780 bonds (distance) P-C4' energy: -52.821 flat angles C4'-P-C4' energy: -57.918 flat angles P-C4'-P energy: -34.034 tors. eta vs tors. theta energy: -46.486 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: 77 Temperature: 1.250000 Total energy: -542.651241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.651241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.651241 (E_RNA) where: Base-Base interactions energy: -334.056 where: short stacking energy: -152.365 Base-Backbone interact. energy: -0.429 local terms energy: -208.166175 where: bonds (distance) C4'-P energy: -39.563 bonds (distance) P-C4' energy: -58.389 flat angles C4'-P-C4' energy: -40.949 flat angles P-C4'-P energy: -40.303 tors. eta vs tors. theta energy: -28.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -300.213465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.213465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.213465 (E_RNA) where: Base-Base interactions energy: -114.069 where: short stacking energy: -86.867 Base-Backbone interact. energy: 3.536 local terms energy: -189.680105 where: bonds (distance) C4'-P energy: -52.320 bonds (distance) P-C4' energy: -57.384 flat angles C4'-P-C4' energy: -43.844 flat angles P-C4'-P energy: -40.268 tors. eta vs tors. theta energy: 4.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -279.364482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.364482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.364482 (E_RNA) where: Base-Base interactions energy: -121.768 where: short stacking energy: -78.011 Base-Backbone interact. energy: -2.013 local terms energy: -155.583063 where: bonds (distance) C4'-P energy: -45.270 bonds (distance) P-C4' energy: -58.753 flat angles C4'-P-C4' energy: -45.168 flat angles P-C4'-P energy: -19.074 tors. eta vs tors. theta energy: 12.683 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: 9 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -1110.711016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.711016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.711016 (E_RNA) where: Base-Base interactions energy: -772.502 where: short stacking energy: -327.868 Base-Backbone interact. energy: 3.417 local terms energy: -341.626112 where: bonds (distance) C4'-P energy: -62.288 bonds (distance) P-C4' energy: -67.746 flat angles C4'-P-C4' energy: -75.254 flat angles P-C4'-P energy: -44.276 tors. eta vs tors. theta energy: -92.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -996.605645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.605645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.605645 (E_RNA) where: Base-Base interactions energy: -684.729 where: short stacking energy: -282.264 Base-Backbone interact. energy: -0.999 local terms energy: -310.878472 where: bonds (distance) C4'-P energy: -58.630 bonds (distance) P-C4' energy: -67.254 flat angles C4'-P-C4' energy: -73.830 flat angles P-C4'-P energy: -44.398 tors. eta vs tors. theta energy: -66.767 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: 3, replica: 2 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -978.998929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.998929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.998929 (E_RNA) where: Base-Base interactions energy: -637.501 where: short stacking energy: -289.192 Base-Backbone interact. energy: -2.016 local terms energy: -339.481809 where: bonds (distance) C4'-P energy: -62.258 bonds (distance) P-C4' energy: -68.417 flat angles C4'-P-C4' energy: -76.669 flat angles P-C4'-P energy: -42.180 tors. eta vs tors. theta energy: -89.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -936.103239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.103239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.103239 (E_RNA) where: Base-Base interactions energy: -639.213 where: short stacking energy: -276.428 Base-Backbone interact. energy: 0.177 local terms energy: -297.066955 where: bonds (distance) C4'-P energy: -54.863 bonds (distance) P-C4' energy: -61.411 flat angles C4'-P-C4' energy: -67.253 flat angles P-C4'-P energy: -41.297 tors. eta vs tors. theta energy: -72.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -865.638946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.638946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.638946 (E_RNA) where: Base-Base interactions energy: -575.522 where: short stacking energy: -241.991 Base-Backbone interact. energy: -1.488 local terms energy: -288.629317 where: bonds (distance) C4'-P energy: -55.857 bonds (distance) P-C4' energy: -61.144 flat angles C4'-P-C4' energy: -64.874 flat angles P-C4'-P energy: -43.818 tors. eta vs tors. theta energy: -62.935 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: 6, replica: 6 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -765.379901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.379901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.379901 (E_RNA) where: Base-Base interactions energy: -507.008 where: short stacking energy: -216.940 Base-Backbone interact. energy: -0.020 local terms energy: -258.352000 where: bonds (distance) C4'-P energy: -62.487 bonds (distance) P-C4' energy: -49.919 flat angles C4'-P-C4' energy: -54.422 flat angles P-C4'-P energy: -40.528 tors. eta vs tors. theta energy: -50.996 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: 3 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -669.523169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.523169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.523169 (E_RNA) where: Base-Base interactions energy: -417.894 where: short stacking energy: -185.035 Base-Backbone interact. energy: -1.475 local terms energy: -250.154475 where: bonds (distance) C4'-P energy: -52.663 bonds (distance) P-C4' energy: -59.448 flat angles C4'-P-C4' energy: -63.375 flat angles P-C4'-P energy: -37.721 tors. eta vs tors. theta energy: -36.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -540.760423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.760423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.760423 (E_RNA) where: Base-Base interactions energy: -302.698 where: short stacking energy: -143.944 Base-Backbone interact. energy: -1.508 local terms energy: -236.554812 where: bonds (distance) C4'-P energy: -49.248 bonds (distance) P-C4' energy: -68.569 flat angles C4'-P-C4' energy: -57.874 flat angles P-C4'-P energy: -36.039 tors. eta vs tors. theta energy: -24.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -311.728864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.728864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.728864 (E_RNA) where: Base-Base interactions energy: -107.806 where: short stacking energy: -77.391 Base-Backbone interact. energy: 2.115 local terms energy: -206.037213 where: bonds (distance) C4'-P energy: -52.650 bonds (distance) P-C4' energy: -60.292 flat angles C4'-P-C4' energy: -42.804 flat angles P-C4'-P energy: -37.156 tors. eta vs tors. theta energy: -13.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -277.975588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.975588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.975588 (E_RNA) where: Base-Base interactions energy: -105.852 where: short stacking energy: -97.937 Base-Backbone interact. energy: 0.120 local terms energy: -172.243769 where: bonds (distance) C4'-P energy: -52.090 bonds (distance) P-C4' energy: -57.737 flat angles C4'-P-C4' energy: -43.319 flat angles P-C4'-P energy: -20.819 tors. eta vs tors. theta energy: 1.721 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: 1, replica: 9 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -1105.619336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.619336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.619336 (E_RNA) where: Base-Base interactions energy: -764.656 where: short stacking energy: -309.146 Base-Backbone interact. energy: -1.238 local terms energy: -339.725202 where: bonds (distance) C4'-P energy: -63.828 bonds (distance) P-C4' energy: -71.677 flat angles C4'-P-C4' energy: -65.434 flat angles P-C4'-P energy: -45.715 tors. eta vs tors. theta energy: -93.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -992.198278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.198278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.198278 (E_RNA) where: Base-Base interactions energy: -681.665 where: short stacking energy: -293.786 Base-Backbone interact. energy: -1.209 local terms energy: -309.323796 where: bonds (distance) C4'-P energy: -51.326 bonds (distance) P-C4' energy: -55.936 flat angles C4'-P-C4' energy: -66.394 flat angles P-C4'-P energy: -46.658 tors. eta vs tors. theta energy: -89.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -991.264972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.264972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.264972 (E_RNA) where: Base-Base interactions energy: -647.376 where: short stacking energy: -307.536 Base-Backbone interact. energy: 1.489 local terms energy: -345.378242 where: bonds (distance) C4'-P energy: -64.744 bonds (distance) P-C4' energy: -66.017 flat angles C4'-P-C4' energy: -72.140 flat angles P-C4'-P energy: -43.790 tors. eta vs tors. theta energy: -98.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -944.589265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.589265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.589265 (E_RNA) where: Base-Base interactions energy: -639.207 where: short stacking energy: -271.213 Base-Backbone interact. energy: -0.560 local terms energy: -304.822401 where: bonds (distance) C4'-P energy: -57.281 bonds (distance) P-C4' energy: -63.155 flat angles C4'-P-C4' energy: -63.594 flat angles P-C4'-P energy: -48.356 tors. eta vs tors. theta energy: -72.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -822.252910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.252910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.252910 (E_RNA) where: Base-Base interactions energy: -539.561 where: short stacking energy: -237.669 Base-Backbone interact. energy: -2.047 local terms energy: -280.645351 where: bonds (distance) C4'-P energy: -54.518 bonds (distance) P-C4' energy: -56.912 flat angles C4'-P-C4' energy: -63.740 flat angles P-C4'-P energy: -38.863 tors. eta vs tors. theta energy: -66.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -792.528753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.528753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.528753 (E_RNA) where: Base-Base interactions energy: -513.547 where: short stacking energy: -228.601 Base-Backbone interact. energy: -1.698 local terms energy: -277.283931 where: bonds (distance) C4'-P energy: -55.491 bonds (distance) P-C4' energy: -56.621 flat angles C4'-P-C4' energy: -59.750 flat angles P-C4'-P energy: -41.372 tors. eta vs tors. theta energy: -64.050 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: 7, replica: 3 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -664.763640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.763640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.763640 (E_RNA) where: Base-Base interactions energy: -396.582 where: short stacking energy: -185.889 Base-Backbone interact. energy: -0.288 local terms energy: -267.893623 where: bonds (distance) C4'-P energy: -56.693 bonds (distance) P-C4' energy: -62.621 flat angles C4'-P-C4' energy: -64.737 flat angles P-C4'-P energy: -40.441 tors. eta vs tors. theta energy: -43.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -539.181049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.181049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.181049 (E_RNA) where: Base-Base interactions energy: -299.891 where: short stacking energy: -149.535 Base-Backbone interact. energy: -1.181 local terms energy: -238.109355 where: bonds (distance) C4'-P energy: -49.145 bonds (distance) P-C4' energy: -63.277 flat angles C4'-P-C4' energy: -55.484 flat angles P-C4'-P energy: -34.159 tors. eta vs tors. theta energy: -36.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -359.766110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.766110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.766110 (E_RNA) where: Base-Base interactions energy: -161.269 where: short stacking energy: -116.717 Base-Backbone interact. energy: -1.749 local terms energy: -196.747517 where: bonds (distance) C4'-P energy: -57.854 bonds (distance) P-C4' energy: -42.739 flat angles C4'-P-C4' energy: -52.029 flat angles P-C4'-P energy: -27.498 tors. eta vs tors. theta energy: -16.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -269.407879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.407879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.407879 (E_RNA) where: Base-Base interactions energy: -80.043 where: short stacking energy: -63.209 Base-Backbone interact. energy: 9.531 local terms energy: -198.896729 where: bonds (distance) C4'-P energy: -48.247 bonds (distance) P-C4' energy: -63.433 flat angles C4'-P-C4' energy: -53.257 flat angles P-C4'-P energy: -36.111 tors. eta vs tors. theta energy: 2.152 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: 80 Temperature: 0.900000 Total energy: -1092.241189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.241189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.241189 (E_RNA) where: Base-Base interactions energy: -755.190 where: short stacking energy: -288.331 Base-Backbone interact. energy: -0.258 local terms energy: -336.792826 where: bonds (distance) C4'-P energy: -64.675 bonds (distance) P-C4' energy: -61.939 flat angles C4'-P-C4' energy: -65.462 flat angles P-C4'-P energy: -54.266 tors. eta vs tors. theta energy: -90.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -1017.468913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.468913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.468913 (E_RNA) where: Base-Base interactions energy: -694.817 where: short stacking energy: -304.268 Base-Backbone interact. energy: -1.636 local terms energy: -321.016431 where: bonds (distance) C4'-P energy: -60.873 bonds (distance) P-C4' energy: -57.353 flat angles C4'-P-C4' energy: -69.951 flat angles P-C4'-P energy: -51.771 tors. eta vs tors. theta energy: -81.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -990.347109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.347109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.347109 (E_RNA) where: Base-Base interactions energy: -666.492 where: short stacking energy: -295.284 Base-Backbone interact. energy: -0.598 local terms energy: -323.257316 where: bonds (distance) C4'-P energy: -62.452 bonds (distance) P-C4' energy: -57.929 flat angles C4'-P-C4' energy: -73.714 flat angles P-C4'-P energy: -45.291 tors. eta vs tors. theta energy: -83.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -948.948290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.948290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.948290 (E_RNA) where: Base-Base interactions energy: -649.654 where: short stacking energy: -270.935 Base-Backbone interact. energy: -2.924 local terms energy: -296.370487 where: bonds (distance) C4'-P energy: -55.803 bonds (distance) P-C4' energy: -52.521 flat angles C4'-P-C4' energy: -69.735 flat angles P-C4'-P energy: -44.317 tors. eta vs tors. theta energy: -73.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -855.455282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.455282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.455282 (E_RNA) where: Base-Base interactions energy: -558.980 where: short stacking energy: -230.383 Base-Backbone interact. energy: 1.150 local terms energy: -297.625377 where: bonds (distance) C4'-P energy: -59.459 bonds (distance) P-C4' energy: -70.200 flat angles C4'-P-C4' energy: -64.700 flat angles P-C4'-P energy: -42.667 tors. eta vs tors. theta energy: -60.600 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: 6 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -772.216114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.216114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.216114 (E_RNA) where: Base-Base interactions energy: -508.689 where: short stacking energy: -212.818 Base-Backbone interact. energy: -1.017 local terms energy: -262.509705 where: bonds (distance) C4'-P energy: -59.249 bonds (distance) P-C4' energy: -61.444 flat angles C4'-P-C4' energy: -64.646 flat angles P-C4'-P energy: -27.494 tors. eta vs tors. theta energy: -49.677 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: 3 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -623.575637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.575637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.575637 (E_RNA) where: Base-Base interactions energy: -360.881 where: short stacking energy: -175.904 Base-Backbone interact. energy: -0.751 local terms energy: -261.944427 where: bonds (distance) C4'-P energy: -62.120 bonds (distance) P-C4' energy: -61.393 flat angles C4'-P-C4' energy: -66.682 flat angles P-C4'-P energy: -33.883 tors. eta vs tors. theta energy: -37.865 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: 8, replica: 1 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -478.020336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.020336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.020336 (E_RNA) where: Base-Base interactions energy: -259.327 where: short stacking energy: -140.887 Base-Backbone interact. energy: -1.044 local terms energy: -217.649288 where: bonds (distance) C4'-P energy: -52.994 bonds (distance) P-C4' energy: -49.343 flat angles C4'-P-C4' energy: -56.446 flat angles P-C4'-P energy: -35.797 tors. eta vs tors. theta energy: -23.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -307.111547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.111547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.111547 (E_RNA) where: Base-Base interactions energy: -113.996 where: short stacking energy: -78.548 Base-Backbone interact. energy: -0.430 local terms energy: -192.686431 where: bonds (distance) C4'-P energy: -55.984 bonds (distance) P-C4' energy: -58.085 flat angles C4'-P-C4' energy: -40.096 flat angles P-C4'-P energy: -31.376 tors. eta vs tors. theta energy: -7.146 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: 10, replica: 4 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -254.823228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.823228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.823228 (E_RNA) where: Base-Base interactions energy: -90.426 where: short stacking energy: -69.156 Base-Backbone interact. energy: 0.211 local terms energy: -164.608613 where: bonds (distance) C4'-P energy: -54.906 bonds (distance) P-C4' energy: -46.592 flat angles C4'-P-C4' energy: -53.736 flat angles P-C4'-P energy: -25.911 tors. eta vs tors. theta energy: 16.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -1080.750199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.750199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.750199 (E_RNA) where: Base-Base interactions energy: -758.318 where: short stacking energy: -310.511 Base-Backbone interact. energy: -2.090 local terms energy: -320.342700 where: bonds (distance) C4'-P energy: -57.505 bonds (distance) P-C4' energy: -64.581 flat angles C4'-P-C4' energy: -71.846 flat angles P-C4'-P energy: -43.210 tors. eta vs tors. theta energy: -83.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -1016.946940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.946940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.946940 (E_RNA) where: Base-Base interactions energy: -683.569 where: short stacking energy: -302.453 Base-Backbone interact. energy: -1.685 local terms energy: -331.692911 where: bonds (distance) C4'-P energy: -58.834 bonds (distance) P-C4' energy: -69.085 flat angles C4'-P-C4' energy: -68.935 flat angles P-C4'-P energy: -51.337 tors. eta vs tors. theta energy: -83.502 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: 8 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -969.537989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.537989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.537989 (E_RNA) where: Base-Base interactions energy: -680.294 where: short stacking energy: -300.722 Base-Backbone interact. energy: -2.239 local terms energy: -287.005405 where: bonds (distance) C4'-P energy: -56.257 bonds (distance) P-C4' energy: -37.343 flat angles C4'-P-C4' energy: -69.301 flat angles P-C4'-P energy: -41.837 tors. eta vs tors. theta energy: -82.267 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: 5 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -950.115832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.115832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.115832 (E_RNA) where: Base-Base interactions energy: -631.887 where: short stacking energy: -265.256 Base-Backbone interact. energy: -1.320 local terms energy: -316.908814 where: bonds (distance) C4'-P energy: -64.945 bonds (distance) P-C4' energy: -64.372 flat angles C4'-P-C4' energy: -67.840 flat angles P-C4'-P energy: -49.554 tors. eta vs tors. theta energy: -70.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -848.675221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.675221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.675221 (E_RNA) where: Base-Base interactions energy: -588.743 where: short stacking energy: -244.916 Base-Backbone interact. energy: 1.048 local terms energy: -260.980383 where: bonds (distance) C4'-P energy: -58.066 bonds (distance) P-C4' energy: -43.690 flat angles C4'-P-C4' energy: -60.700 flat angles P-C4'-P energy: -28.943 tors. eta vs tors. theta energy: -69.581 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: 6 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -792.719547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.719547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.719547 (E_RNA) where: Base-Base interactions energy: -539.563 where: short stacking energy: -230.758 Base-Backbone interact. energy: -0.535 local terms energy: -252.621421 where: bonds (distance) C4'-P energy: -52.144 bonds (distance) P-C4' energy: -46.004 flat angles C4'-P-C4' energy: -57.559 flat angles P-C4'-P energy: -41.846 tors. eta vs tors. theta energy: -55.069 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: 7, replica: 3 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -692.342052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.342052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.342052 (E_RNA) where: Base-Base interactions energy: -425.809 where: short stacking energy: -212.786 Base-Backbone interact. energy: -1.573 local terms energy: -264.960204 where: bonds (distance) C4'-P energy: -60.586 bonds (distance) P-C4' energy: -61.673 flat angles C4'-P-C4' energy: -56.361 flat angles P-C4'-P energy: -44.835 tors. eta vs tors. theta energy: -41.506 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: 8, replica: 1 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -456.821206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.821206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.821206 (E_RNA) where: Base-Base interactions energy: -235.492 where: short stacking energy: -135.130 Base-Backbone interact. energy: 4.446 local terms energy: -225.775146 where: bonds (distance) C4'-P energy: -52.446 bonds (distance) P-C4' energy: -61.107 flat angles C4'-P-C4' energy: -44.503 flat angles P-C4'-P energy: -44.557 tors. eta vs tors. theta energy: -23.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -287.761228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.761228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.761228 (E_RNA) where: Base-Base interactions energy: -87.159 where: short stacking energy: -71.443 Base-Backbone interact. energy: -1.509 local terms energy: -199.092452 where: bonds (distance) C4'-P energy: -55.881 bonds (distance) P-C4' energy: -64.382 flat angles C4'-P-C4' energy: -54.728 flat angles P-C4'-P energy: -24.288 tors. eta vs tors. theta energy: 0.187 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: 4 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -249.312872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -249.312872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -249.312872 (E_RNA) where: Base-Base interactions energy: -99.980 where: short stacking energy: -95.056 Base-Backbone interact. energy: 1.803 local terms energy: -151.136057 where: bonds (distance) C4'-P energy: -47.557 bonds (distance) P-C4' energy: -53.925 flat angles C4'-P-C4' energy: -35.938 flat angles P-C4'-P energy: -25.979 tors. eta vs tors. theta energy: 12.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -1096.451765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.451765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.451765 (E_RNA) where: Base-Base interactions energy: -747.303 where: short stacking energy: -310.855 Base-Backbone interact. energy: -2.636 local terms energy: -346.513224 where: bonds (distance) C4'-P energy: -57.452 bonds (distance) P-C4' energy: -63.794 flat angles C4'-P-C4' energy: -72.975 flat angles P-C4'-P energy: -50.174 tors. eta vs tors. theta energy: -102.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -1019.051758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.051758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.051758 (E_RNA) where: Base-Base interactions energy: -718.052 where: short stacking energy: -305.279 Base-Backbone interact. energy: -1.174 local terms energy: -299.826121 where: bonds (distance) C4'-P energy: -58.529 bonds (distance) P-C4' energy: -56.287 flat angles C4'-P-C4' energy: -65.857 flat angles P-C4'-P energy: -40.904 tors. eta vs tors. theta energy: -78.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -955.305866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.305866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.305866 (E_RNA) where: Base-Base interactions energy: -654.400 where: short stacking energy: -276.013 Base-Backbone interact. energy: -1.348 local terms energy: -299.557636 where: bonds (distance) C4'-P energy: -57.680 bonds (distance) P-C4' energy: -59.230 flat angles C4'-P-C4' energy: -68.306 flat angles P-C4'-P energy: -34.487 tors. eta vs tors. theta energy: -79.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -908.691946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.691946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.691946 (E_RNA) where: Base-Base interactions energy: -605.140 where: short stacking energy: -243.290 Base-Backbone interact. energy: -0.784 local terms energy: -302.767909 where: bonds (distance) C4'-P energy: -58.600 bonds (distance) P-C4' energy: -62.444 flat angles C4'-P-C4' energy: -64.312 flat angles P-C4'-P energy: -47.514 tors. eta vs tors. theta energy: -69.898 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: 6 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -808.172795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.172795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.172795 (E_RNA) where: Base-Base interactions energy: -526.091 where: short stacking energy: -220.377 Base-Backbone interact. energy: -1.642 local terms energy: -280.439177 where: bonds (distance) C4'-P energy: -56.016 bonds (distance) P-C4' energy: -60.800 flat angles C4'-P-C4' energy: -62.266 flat angles P-C4'-P energy: -45.851 tors. eta vs tors. theta energy: -55.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -815.080788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.080788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.080788 (E_RNA) where: Base-Base interactions energy: -547.725 where: short stacking energy: -228.713 Base-Backbone interact. energy: -1.953 local terms energy: -265.402484 where: bonds (distance) C4'-P energy: -50.264 bonds (distance) P-C4' energy: -53.843 flat angles C4'-P-C4' energy: -60.003 flat angles P-C4'-P energy: -42.704 tors. eta vs tors. theta energy: -58.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -686.826187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.826187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.826187 (E_RNA) where: Base-Base interactions energy: -428.460 where: short stacking energy: -182.201 Base-Backbone interact. energy: -0.798 local terms energy: -257.567369 where: bonds (distance) C4'-P energy: -52.100 bonds (distance) P-C4' energy: -63.176 flat angles C4'-P-C4' energy: -47.583 flat angles P-C4'-P energy: -42.267 tors. eta vs tors. theta energy: -52.442 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: 82 Temperature: 1.250000 Total energy: -409.202776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.202776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.202776 (E_RNA) where: Base-Base interactions energy: -214.112 where: short stacking energy: -150.625 Base-Backbone interact. energy: -0.531 local terms energy: -194.559656 where: bonds (distance) C4'-P energy: -49.813 bonds (distance) P-C4' energy: -54.674 flat angles C4'-P-C4' energy: -48.579 flat angles P-C4'-P energy: -15.414 tors. eta vs tors. theta energy: -26.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -334.944876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.944876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.944876 (E_RNA) where: Base-Base interactions energy: -150.129 where: short stacking energy: -82.523 Base-Backbone interact. energy: -3.917 local terms energy: -180.898801 where: bonds (distance) C4'-P energy: -46.586 bonds (distance) P-C4' energy: -55.973 flat angles C4'-P-C4' energy: -54.297 flat angles P-C4'-P energy: -37.662 tors. eta vs tors. theta energy: 13.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -294.157450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.157450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.157450 (E_RNA) where: Base-Base interactions energy: -107.188 where: short stacking energy: -89.013 Base-Backbone interact. energy: -0.854 local terms energy: -186.115738 where: bonds (distance) C4'-P energy: -52.092 bonds (distance) P-C4' energy: -53.448 flat angles C4'-P-C4' energy: -58.910 flat angles P-C4'-P energy: -22.702 tors. eta vs tors. theta energy: 1.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -1092.575198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.575198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.575198 (E_RNA) where: Base-Base interactions energy: -749.494 where: short stacking energy: -318.763 Base-Backbone interact. energy: -2.674 local terms energy: -340.406844 where: bonds (distance) C4'-P energy: -57.659 bonds (distance) P-C4' energy: -62.601 flat angles C4'-P-C4' energy: -76.222 flat angles P-C4'-P energy: -52.643 tors. eta vs tors. theta energy: -91.282 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: 5 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -998.969655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.969655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.969655 (E_RNA) where: Base-Base interactions energy: -667.280 where: short stacking energy: -274.894 Base-Backbone interact. energy: -3.973 local terms energy: -327.716603 where: bonds (distance) C4'-P energy: -63.759 bonds (distance) P-C4' energy: -62.360 flat angles C4'-P-C4' energy: -72.546 flat angles P-C4'-P energy: -52.545 tors. eta vs tors. theta energy: -76.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -990.149655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.149655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.149655 (E_RNA) where: Base-Base interactions energy: -676.070 where: short stacking energy: -297.353 Base-Backbone interact. energy: 1.094 local terms energy: -315.173800 where: bonds (distance) C4'-P energy: -64.329 bonds (distance) P-C4' energy: -59.586 flat angles C4'-P-C4' energy: -63.887 flat angles P-C4'-P energy: -43.520 tors. eta vs tors. theta energy: -83.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -921.277771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.277771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.277771 (E_RNA) where: Base-Base interactions energy: -621.032 where: short stacking energy: -260.600 Base-Backbone interact. energy: -0.931 local terms energy: -299.314603 where: bonds (distance) C4'-P energy: -53.054 bonds (distance) P-C4' energy: -61.059 flat angles C4'-P-C4' energy: -67.810 flat angles P-C4'-P energy: -41.489 tors. eta vs tors. theta energy: -75.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -806.113548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.113548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.113548 (E_RNA) where: Base-Base interactions energy: -535.834 where: short stacking energy: -234.293 Base-Backbone interact. energy: -1.239 local terms energy: -269.040557 where: bonds (distance) C4'-P energy: -58.273 bonds (distance) P-C4' energy: -56.864 flat angles C4'-P-C4' energy: -60.649 flat angles P-C4'-P energy: -37.035 tors. eta vs tors. theta energy: -56.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -827.885221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.885221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.885221 (E_RNA) where: Base-Base interactions energy: -562.692 where: short stacking energy: -244.560 Base-Backbone interact. energy: 4.094 local terms energy: -269.287964 where: bonds (distance) C4'-P energy: -54.929 bonds (distance) P-C4' energy: -57.085 flat angles C4'-P-C4' energy: -57.975 flat angles P-C4'-P energy: -39.060 tors. eta vs tors. theta energy: -60.238 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: 7, replica: 3 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -687.897417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.897417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.897417 (E_RNA) where: Base-Base interactions energy: -422.795 where: short stacking energy: -188.509 Base-Backbone interact. energy: -2.933 local terms energy: -262.169223 where: bonds (distance) C4'-P energy: -59.929 bonds (distance) P-C4' energy: -62.314 flat angles C4'-P-C4' energy: -59.674 flat angles P-C4'-P energy: -41.916 tors. eta vs tors. theta energy: -38.337 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: 83 Temperature: 1.250000 Total energy: -438.708574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.708574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.708574 (E_RNA) where: Base-Base interactions energy: -222.503 where: short stacking energy: -126.529 Base-Backbone interact. energy: 4.787 local terms energy: -220.992407 where: bonds (distance) C4'-P energy: -48.005 bonds (distance) P-C4' energy: -53.682 flat angles C4'-P-C4' energy: -53.345 flat angles P-C4'-P energy: -28.944 tors. eta vs tors. theta energy: -37.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -333.196487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.196487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.196487 (E_RNA) where: Base-Base interactions energy: -154.541 where: short stacking energy: -94.895 Base-Backbone interact. energy: 2.331 local terms energy: -180.986693 where: bonds (distance) C4'-P energy: -56.760 bonds (distance) P-C4' energy: -62.195 flat angles C4'-P-C4' energy: -40.074 flat angles P-C4'-P energy: -26.055 tors. eta vs tors. theta energy: 4.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -289.851061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.851061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.851061 (E_RNA) where: Base-Base interactions energy: -116.891 where: short stacking energy: -108.326 Base-Backbone interact. energy: 5.224 local terms energy: -178.183872 where: bonds (distance) C4'-P energy: -47.186 bonds (distance) P-C4' energy: -55.118 flat angles C4'-P-C4' energy: -42.658 flat angles P-C4'-P energy: -23.818 tors. eta vs tors. theta energy: -9.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -1093.270083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.270083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.270083 (E_RNA) where: Base-Base interactions energy: -753.382 where: short stacking energy: -315.127 Base-Backbone interact. energy: -1.768 local terms energy: -338.119547 where: bonds (distance) C4'-P energy: -62.223 bonds (distance) P-C4' energy: -64.948 flat angles C4'-P-C4' energy: -70.746 flat angles P-C4'-P energy: -48.283 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: 2, replica: 5 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -1002.758830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.758830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.758830 (E_RNA) where: Base-Base interactions energy: -684.408 where: short stacking energy: -303.573 Base-Backbone interact. energy: 0.682 local terms energy: -319.032760 where: bonds (distance) C4'-P energy: -61.907 bonds (distance) P-C4' energy: -57.320 flat angles C4'-P-C4' energy: -69.120 flat angles P-C4'-P energy: -50.656 tors. eta vs tors. theta energy: -80.031 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: 2 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -988.240292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.240292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.240292 (E_RNA) where: Base-Base interactions energy: -687.252 where: short stacking energy: -288.981 Base-Backbone interact. energy: -1.556 local terms energy: -299.431875 where: bonds (distance) C4'-P energy: -63.523 bonds (distance) P-C4' energy: -59.273 flat angles C4'-P-C4' energy: -55.262 flat angles P-C4'-P energy: -41.886 tors. eta vs tors. theta energy: -79.489 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: 4, replica: 8 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -982.045100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.045100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.045100 (E_RNA) where: Base-Base interactions energy: -658.063 where: short stacking energy: -268.064 Base-Backbone interact. energy: -2.692 local terms energy: -321.290536 where: bonds (distance) C4'-P energy: -68.499 bonds (distance) P-C4' energy: -62.015 flat angles C4'-P-C4' energy: -65.694 flat angles P-C4'-P energy: -41.538 tors. eta vs tors. theta energy: -83.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -880.184070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.184070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.184070 (E_RNA) where: Base-Base interactions energy: -591.661 where: short stacking energy: -259.363 Base-Backbone interact. energy: -1.575 local terms energy: -286.948672 where: bonds (distance) C4'-P energy: -60.389 bonds (distance) P-C4' energy: -45.100 flat angles C4'-P-C4' energy: -71.327 flat angles P-C4'-P energy: -42.691 tors. eta vs tors. theta energy: -67.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -724.826779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.826779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.826779 (E_RNA) where: Base-Base interactions energy: -499.306 where: short stacking energy: -212.338 Base-Backbone interact. energy: -1.551 local terms energy: -223.969513 where: bonds (distance) C4'-P energy: -46.785 bonds (distance) P-C4' energy: -54.127 flat angles C4'-P-C4' energy: -42.282 flat angles P-C4'-P energy: -34.486 tors. eta vs tors. theta energy: -46.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -697.910989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.910989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.910989 (E_RNA) where: Base-Base interactions energy: -434.665 where: short stacking energy: -198.846 Base-Backbone interact. energy: -1.284 local terms energy: -261.961954 where: bonds (distance) C4'-P energy: -64.660 bonds (distance) P-C4' energy: -62.526 flat angles C4'-P-C4' energy: -48.778 flat angles P-C4'-P energy: -35.913 tors. eta vs tors. theta energy: -50.085 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: 84 Temperature: 1.250000 Total energy: -465.263230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.263230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.263230 (E_RNA) where: Base-Base interactions energy: -248.621 where: short stacking energy: -121.055 Base-Backbone interact. energy: -1.474 local terms energy: -215.168228 where: bonds (distance) C4'-P energy: -57.847 bonds (distance) P-C4' energy: -65.059 flat angles C4'-P-C4' energy: -48.155 flat angles P-C4'-P energy: -24.329 tors. eta vs tors. theta energy: -19.778 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: 10 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -348.091035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.091035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.091035 (E_RNA) where: Base-Base interactions energy: -163.770 where: short stacking energy: -113.421 Base-Backbone interact. energy: -1.848 local terms energy: -182.472476 where: bonds (distance) C4'-P energy: -45.489 bonds (distance) P-C4' energy: -45.479 flat angles C4'-P-C4' energy: -47.192 flat angles P-C4'-P energy: -28.409 tors. eta vs tors. theta energy: -15.903 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: 4 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -271.991919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.991919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.991919 (E_RNA) where: Base-Base interactions energy: -112.143 where: short stacking energy: -75.262 Base-Backbone interact. energy: -1.008 local terms energy: -158.841606 where: bonds (distance) C4'-P energy: -36.105 bonds (distance) P-C4' energy: -56.567 flat angles C4'-P-C4' energy: -35.662 flat angles P-C4'-P energy: -29.060 tors. eta vs tors. theta energy: -1.448 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: 1, replica: 9 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -1092.582775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.582775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.582775 (E_RNA) where: Base-Base interactions energy: -755.501 where: short stacking energy: -320.884 Base-Backbone interact. energy: -2.568 local terms energy: -334.513184 where: bonds (distance) C4'-P energy: -71.369 bonds (distance) P-C4' energy: -53.956 flat angles C4'-P-C4' energy: -74.429 flat angles P-C4'-P energy: -43.346 tors. eta vs tors. theta energy: -91.413 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: 5 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -986.791062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.791062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.791062 (E_RNA) where: Base-Base interactions energy: -664.768 where: short stacking energy: -289.174 Base-Backbone interact. energy: 0.597 local terms energy: -322.620265 where: bonds (distance) C4'-P energy: -62.034 bonds (distance) P-C4' energy: -71.821 flat angles C4'-P-C4' energy: -68.142 flat angles P-C4'-P energy: -43.580 tors. eta vs tors. theta energy: -77.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -974.609037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.609037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.609037 (E_RNA) where: Base-Base interactions energy: -649.016 where: short stacking energy: -274.616 Base-Backbone interact. energy: -2.421 local terms energy: -323.172284 where: bonds (distance) C4'-P energy: -57.565 bonds (distance) P-C4' energy: -60.349 flat angles C4'-P-C4' energy: -71.002 flat angles P-C4'-P energy: -46.285 tors. eta vs tors. theta energy: -87.972 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: 8 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -958.552624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.552624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.552624 (E_RNA) where: Base-Base interactions energy: -646.297 where: short stacking energy: -270.825 Base-Backbone interact. energy: -1.398 local terms energy: -310.857772 where: bonds (distance) C4'-P energy: -59.856 bonds (distance) P-C4' energy: -60.265 flat angles C4'-P-C4' energy: -67.074 flat angles P-C4'-P energy: -42.163 tors. eta vs tors. theta energy: -81.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -893.485332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.485332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.485332 (E_RNA) where: Base-Base interactions energy: -586.511 where: short stacking energy: -256.446 Base-Backbone interact. energy: 2.389 local terms energy: -309.363783 where: bonds (distance) C4'-P energy: -57.235 bonds (distance) P-C4' energy: -65.521 flat angles C4'-P-C4' energy: -73.652 flat angles P-C4'-P energy: -43.793 tors. eta vs tors. theta energy: -69.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -746.909577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.909577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.909577 (E_RNA) where: Base-Base interactions energy: -482.789 where: short stacking energy: -239.283 Base-Backbone interact. energy: -0.497 local terms energy: -263.623531 where: bonds (distance) C4'-P energy: -47.474 bonds (distance) P-C4' energy: -55.820 flat angles C4'-P-C4' energy: -53.928 flat angles P-C4'-P energy: -40.660 tors. eta vs tors. theta energy: -65.740 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: 6 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -619.181780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.181780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.181780 (E_RNA) where: Base-Base interactions energy: -383.152 where: short stacking energy: -179.835 Base-Backbone interact. energy: -1.263 local terms energy: -234.767546 where: bonds (distance) C4'-P energy: -59.459 bonds (distance) P-C4' energy: -63.977 flat angles C4'-P-C4' energy: -57.874 flat angles P-C4'-P energy: -28.464 tors. eta vs tors. theta energy: -24.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -513.826688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.826688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.826688 (E_RNA) where: Base-Base interactions energy: -298.210 where: short stacking energy: -147.026 Base-Backbone interact. energy: 0.457 local terms energy: -216.073988 where: bonds (distance) C4'-P energy: -45.731 bonds (distance) P-C4' energy: -54.398 flat angles C4'-P-C4' energy: -59.653 flat angles P-C4'-P energy: -25.821 tors. eta vs tors. theta energy: -30.471 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: 9, replica: 10 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -335.024882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.024882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.024882 (E_RNA) where: Base-Base interactions energy: -155.632 where: short stacking energy: -108.593 Base-Backbone interact. energy: -1.431 local terms energy: -177.962651 where: bonds (distance) C4'-P energy: -50.755 bonds (distance) P-C4' energy: -55.062 flat angles C4'-P-C4' energy: -40.961 flat angles P-C4'-P energy: -30.366 tors. eta vs tors. theta energy: -0.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -290.470504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.470504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.470504 (E_RNA) where: Base-Base interactions energy: -112.263 where: short stacking energy: -81.894 Base-Backbone interact. energy: 1.641 local terms energy: -179.848377 where: bonds (distance) C4'-P energy: -56.032 bonds (distance) P-C4' energy: -53.398 flat angles C4'-P-C4' energy: -57.826 flat angles P-C4'-P energy: -17.109 tors. eta vs tors. theta energy: 4.516 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: 5 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -1010.012134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.012134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.012134 (E_RNA) where: Base-Base interactions energy: -675.851 where: short stacking energy: -289.969 Base-Backbone interact. energy: 3.537 local terms energy: -337.698157 where: bonds (distance) C4'-P energy: -65.936 bonds (distance) P-C4' energy: -68.936 flat angles C4'-P-C4' energy: -71.291 flat angles P-C4'-P energy: -54.132 tors. eta vs tors. theta energy: -77.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -1070.094267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.094267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.094267 (E_RNA) where: Base-Base interactions energy: -729.919 where: short stacking energy: -294.924 Base-Backbone interact. energy: 0.834 local terms energy: -341.009261 where: bonds (distance) C4'-P energy: -59.112 bonds (distance) P-C4' energy: -71.714 flat angles C4'-P-C4' energy: -65.635 flat angles P-C4'-P energy: -51.229 tors. eta vs tors. theta energy: -93.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -1025.335213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.335213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.335213 (E_RNA) where: Base-Base interactions energy: -700.200 where: short stacking energy: -304.007 Base-Backbone interact. energy: 0.395 local terms energy: -325.529892 where: bonds (distance) C4'-P energy: -61.154 bonds (distance) P-C4' energy: -60.335 flat angles C4'-P-C4' energy: -66.784 flat angles P-C4'-P energy: -50.763 tors. eta vs tors. theta energy: -86.494 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: 2 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -939.197799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.197799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.197799 (E_RNA) where: Base-Base interactions energy: -614.707 where: short stacking energy: -262.864 Base-Backbone interact. energy: -2.229 local terms energy: -322.261615 where: bonds (distance) C4'-P energy: -58.211 bonds (distance) P-C4' energy: -67.062 flat angles C4'-P-C4' energy: -68.751 flat angles P-C4'-P energy: -53.262 tors. eta vs tors. theta energy: -74.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -910.818456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.818456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.818456 (E_RNA) where: Base-Base interactions energy: -623.433 where: short stacking energy: -255.144 Base-Backbone interact. energy: 1.041 local terms energy: -288.425836 where: bonds (distance) C4'-P energy: -59.939 bonds (distance) P-C4' energy: -57.016 flat angles C4'-P-C4' energy: -58.501 flat angles P-C4'-P energy: -47.689 tors. eta vs tors. theta energy: -65.281 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: 3 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -739.493238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.493238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.493238 (E_RNA) where: Base-Base interactions energy: -489.562 where: short stacking energy: -224.955 Base-Backbone interact. energy: -0.619 local terms energy: -249.312978 where: bonds (distance) C4'-P energy: -58.026 bonds (distance) P-C4' energy: -52.029 flat angles C4'-P-C4' energy: -53.428 flat angles P-C4'-P energy: -35.220 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: 7, replica: 6 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -658.012084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.012084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.012084 (E_RNA) where: Base-Base interactions energy: -414.300 where: short stacking energy: -186.625 Base-Backbone interact. energy: -0.512 local terms energy: -243.200057 where: bonds (distance) C4'-P energy: -55.215 bonds (distance) P-C4' energy: -51.781 flat angles C4'-P-C4' energy: -61.388 flat angles P-C4'-P energy: -26.105 tors. eta vs tors. theta energy: -48.712 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: 86 Temperature: 1.250000 Total energy: -504.030001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.030001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.030001 (E_RNA) where: Base-Base interactions energy: -298.685 where: short stacking energy: -131.099 Base-Backbone interact. energy: 0.187 local terms energy: -205.531850 where: bonds (distance) C4'-P energy: -48.483 bonds (distance) P-C4' energy: -43.440 flat angles C4'-P-C4' energy: -58.298 flat angles P-C4'-P energy: -37.211 tors. eta vs tors. theta energy: -18.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -355.904242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.904242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.904242 (E_RNA) where: Base-Base interactions energy: -169.542 where: short stacking energy: -114.997 Base-Backbone interact. energy: 2.599 local terms energy: -188.960936 where: bonds (distance) C4'-P energy: -45.089 bonds (distance) P-C4' energy: -54.856 flat angles C4'-P-C4' energy: -49.106 flat angles P-C4'-P energy: -32.006 tors. eta vs tors. theta energy: -7.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -264.294238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.294238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.294238 (E_RNA) where: Base-Base interactions energy: -92.019 where: short stacking energy: -84.381 Base-Backbone interact. energy: 3.363 local terms energy: -175.637639 where: bonds (distance) C4'-P energy: -46.201 bonds (distance) P-C4' energy: -52.145 flat angles C4'-P-C4' energy: -52.990 flat angles P-C4'-P energy: -30.851 tors. eta vs tors. theta energy: 6.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -1001.162483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.162483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.162483 (E_RNA) where: Base-Base interactions energy: -675.548 where: short stacking energy: -298.016 Base-Backbone interact. energy: -4.794 local terms energy: -320.820385 where: bonds (distance) C4'-P energy: -64.811 bonds (distance) P-C4' energy: -66.386 flat angles C4'-P-C4' energy: -62.377 flat angles P-C4'-P energy: -44.824 tors. eta vs tors. theta energy: -82.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -1041.692456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.692456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.692456 (E_RNA) where: Base-Base interactions energy: -717.084 where: short stacking energy: -302.926 Base-Backbone interact. energy: 0.287 local terms energy: -324.895829 where: bonds (distance) C4'-P energy: -62.290 bonds (distance) P-C4' energy: -59.709 flat angles C4'-P-C4' energy: -70.343 flat angles P-C4'-P energy: -51.149 tors. eta vs tors. theta energy: -81.405 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: 8 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -982.049078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.049078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.049078 (E_RNA) where: Base-Base interactions energy: -675.798 where: short stacking energy: -277.185 Base-Backbone interact. energy: 0.300 local terms energy: -306.550876 where: bonds (distance) C4'-P energy: -59.222 bonds (distance) P-C4' energy: -55.220 flat angles C4'-P-C4' energy: -71.329 flat angles P-C4'-P energy: -43.506 tors. eta vs tors. theta energy: -77.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -988.802429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.802429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.802429 (E_RNA) where: Base-Base interactions energy: -666.270 where: short stacking energy: -280.424 Base-Backbone interact. energy: -0.083 local terms energy: -322.450379 where: bonds (distance) C4'-P energy: -55.171 bonds (distance) P-C4' energy: -73.534 flat angles C4'-P-C4' energy: -66.635 flat angles P-C4'-P energy: -40.032 tors. eta vs tors. theta energy: -87.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -904.754670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.754670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.754670 (E_RNA) where: Base-Base interactions energy: -604.676 where: short stacking energy: -258.243 Base-Backbone interact. energy: -3.165 local terms energy: -296.913808 where: bonds (distance) C4'-P energy: -48.622 bonds (distance) P-C4' energy: -59.442 flat angles C4'-P-C4' energy: -68.198 flat angles P-C4'-P energy: -45.960 tors. eta vs tors. theta energy: -74.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -742.928561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.928561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.928561 (E_RNA) where: Base-Base interactions energy: -482.639 where: short stacking energy: -210.746 Base-Backbone interact. energy: 0.392 local terms energy: -260.681675 where: bonds (distance) C4'-P energy: -53.320 bonds (distance) P-C4' energy: -60.241 flat angles C4'-P-C4' energy: -59.833 flat angles P-C4'-P energy: -40.623 tors. eta vs tors. theta energy: -46.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -641.763185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.763185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.763185 (E_RNA) where: Base-Base interactions energy: -389.382 where: short stacking energy: -183.992 Base-Backbone interact. energy: -1.406 local terms energy: -250.975176 where: bonds (distance) C4'-P energy: -62.964 bonds (distance) P-C4' energy: -52.667 flat angles C4'-P-C4' energy: -51.101 flat angles P-C4'-P energy: -42.286 tors. eta vs tors. theta energy: -41.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -568.488477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.488477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.488477 (E_RNA) where: Base-Base interactions energy: -313.845 where: short stacking energy: -165.792 Base-Backbone interact. energy: -1.752 local terms energy: -252.890713 where: bonds (distance) C4'-P energy: -72.133 bonds (distance) P-C4' energy: -52.066 flat angles C4'-P-C4' energy: -58.155 flat angles P-C4'-P energy: -36.893 tors. eta vs tors. theta energy: -33.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -346.011549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.011549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.011549 (E_RNA) where: Base-Base interactions energy: -154.981 where: short stacking energy: -104.722 Base-Backbone interact. energy: 0.012 local terms energy: -191.042023 where: bonds (distance) C4'-P energy: -50.939 bonds (distance) P-C4' energy: -64.101 flat angles C4'-P-C4' energy: -48.324 flat angles P-C4'-P energy: -20.615 tors. eta vs tors. theta energy: -7.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -262.933543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.933543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.933543 (E_RNA) where: Base-Base interactions energy: -77.921 where: short stacking energy: -70.412 Base-Backbone interact. energy: 0.495 local terms energy: -185.507122 where: bonds (distance) C4'-P energy: -58.502 bonds (distance) P-C4' energy: -59.406 flat angles C4'-P-C4' energy: -49.216 flat angles P-C4'-P energy: -34.400 tors. eta vs tors. theta energy: 16.017 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: 88 Temperature: 0.900000 Total energy: -1073.979592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.979592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.979592 (E_RNA) where: Base-Base interactions energy: -740.351 where: short stacking energy: -310.490 Base-Backbone interact. energy: -1.527 local terms energy: -332.101820 where: bonds (distance) C4'-P energy: -65.560 bonds (distance) P-C4' energy: -66.025 flat angles C4'-P-C4' energy: -64.786 flat angles P-C4'-P energy: -48.600 tors. eta vs tors. theta energy: -87.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -991.538618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.538618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.538618 (E_RNA) where: Base-Base interactions energy: -685.420 where: short stacking energy: -310.276 Base-Backbone interact. energy: -1.278 local terms energy: -304.841267 where: bonds (distance) C4'-P energy: -58.873 bonds (distance) P-C4' energy: -58.943 flat angles C4'-P-C4' energy: -62.786 flat angles P-C4'-P energy: -46.933 tors. eta vs tors. theta energy: -77.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -998.029417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.029417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.029417 (E_RNA) where: Base-Base interactions energy: -674.269 where: short stacking energy: -292.779 Base-Backbone interact. energy: -3.444 local terms energy: -320.315714 where: bonds (distance) C4'-P energy: -64.889 bonds (distance) P-C4' energy: -59.670 flat angles C4'-P-C4' energy: -67.885 flat angles P-C4'-P energy: -41.049 tors. eta vs tors. theta energy: -86.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -946.136372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.136372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.136372 (E_RNA) where: Base-Base interactions energy: -645.502 where: short stacking energy: -273.551 Base-Backbone interact. energy: -0.598 local terms energy: -300.037316 where: bonds (distance) C4'-P energy: -55.170 bonds (distance) P-C4' energy: -64.026 flat angles C4'-P-C4' energy: -61.457 flat angles P-C4'-P energy: -45.740 tors. eta vs tors. theta energy: -73.644 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: 7 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -920.024797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.024797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.024797 (E_RNA) where: Base-Base interactions energy: -623.799 where: short stacking energy: -255.980 Base-Backbone interact. energy: -2.327 local terms energy: -293.898387 where: bonds (distance) C4'-P energy: -47.630 bonds (distance) P-C4' energy: -64.850 flat angles C4'-P-C4' energy: -64.964 flat angles P-C4'-P energy: -44.041 tors. eta vs tors. theta energy: -72.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -797.401108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.401108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.401108 (E_RNA) where: Base-Base interactions energy: -527.857 where: short stacking energy: -242.885 Base-Backbone interact. energy: -2.166 local terms energy: -267.378031 where: bonds (distance) C4'-P energy: -48.259 bonds (distance) P-C4' energy: -51.452 flat angles C4'-P-C4' energy: -64.057 flat angles P-C4'-P energy: -42.038 tors. eta vs tors. theta energy: -61.573 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: 7, replica: 1 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -667.049266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.049266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.049266 (E_RNA) where: Base-Base interactions energy: -400.479 where: short stacking energy: -185.651 Base-Backbone interact. energy: 0.625 local terms energy: -267.194979 where: bonds (distance) C4'-P energy: -57.089 bonds (distance) P-C4' energy: -63.018 flat angles C4'-P-C4' energy: -59.133 flat angles P-C4'-P energy: -34.880 tors. eta vs tors. theta energy: -53.075 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: 6 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -598.517855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.517855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.517855 (E_RNA) where: Base-Base interactions energy: -363.196 where: short stacking energy: -172.322 Base-Backbone interact. energy: 0.373 local terms energy: -235.694598 where: bonds (distance) C4'-P energy: -58.592 bonds (distance) P-C4' energy: -55.085 flat angles C4'-P-C4' energy: -45.751 flat angles P-C4'-P energy: -38.477 tors. eta vs tors. theta energy: -37.791 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: 9, replica: 10 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -357.565096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.565096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.565096 (E_RNA) where: Base-Base interactions energy: -164.000 where: short stacking energy: -100.190 Base-Backbone interact. energy: -0.656 local terms energy: -192.908836 where: bonds (distance) C4'-P energy: -53.372 bonds (distance) P-C4' energy: -49.341 flat angles C4'-P-C4' energy: -52.640 flat angles P-C4'-P energy: -26.942 tors. eta vs tors. theta energy: -10.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -263.842427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.842427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.842427 (E_RNA) where: Base-Base interactions energy: -71.434 where: short stacking energy: -56.118 Base-Backbone interact. energy: 4.846 local terms energy: -197.254135 where: bonds (distance) C4'-P energy: -52.280 bonds (distance) P-C4' energy: -64.366 flat angles C4'-P-C4' energy: -56.709 flat angles P-C4'-P energy: -41.628 tors. eta vs tors. theta energy: 17.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -1085.429805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.429805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.429805 (E_RNA) where: Base-Base interactions energy: -735.955 where: short stacking energy: -312.066 Base-Backbone interact. energy: -2.731 local terms energy: -346.743626 where: bonds (distance) C4'-P energy: -68.965 bonds (distance) P-C4' energy: -65.783 flat angles C4'-P-C4' energy: -73.641 flat angles P-C4'-P energy: -48.263 tors. eta vs tors. theta energy: -90.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -1043.917260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.917260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.917260 (E_RNA) where: Base-Base interactions energy: -715.059 where: short stacking energy: -311.191 Base-Backbone interact. energy: -3.684 local terms energy: -325.173979 where: bonds (distance) C4'-P energy: -57.871 bonds (distance) P-C4' energy: -65.653 flat angles C4'-P-C4' energy: -65.486 flat angles P-C4'-P energy: -48.934 tors. eta vs tors. theta energy: -87.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -984.969841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.969841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.969841 (E_RNA) where: Base-Base interactions energy: -651.743 where: short stacking energy: -275.906 Base-Backbone interact. energy: -2.541 local terms energy: -330.685400 where: bonds (distance) C4'-P energy: -75.375 bonds (distance) P-C4' energy: -63.185 flat angles C4'-P-C4' energy: -72.945 flat angles P-C4'-P energy: -45.221 tors. eta vs tors. theta energy: -73.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -969.913362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.913362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.913362 (E_RNA) where: Base-Base interactions energy: -662.043 where: short stacking energy: -276.227 Base-Backbone interact. energy: -1.502 local terms energy: -306.368357 where: bonds (distance) C4'-P energy: -55.971 bonds (distance) P-C4' energy: -57.626 flat angles C4'-P-C4' energy: -69.803 flat angles P-C4'-P energy: -44.394 tors. eta vs tors. theta energy: -78.574 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: 8 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -878.024055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.024055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.024055 (E_RNA) where: Base-Base interactions energy: -583.248 where: short stacking energy: -249.614 Base-Backbone interact. energy: 0.849 local terms energy: -295.624942 where: bonds (distance) C4'-P energy: -50.056 bonds (distance) P-C4' energy: -59.731 flat angles C4'-P-C4' energy: -67.061 flat angles P-C4'-P energy: -48.495 tors. eta vs tors. theta energy: -70.282 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: 3 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -836.619418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.619418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.619418 (E_RNA) where: Base-Base interactions energy: -557.714 where: short stacking energy: -254.258 Base-Backbone interact. energy: 2.090 local terms energy: -280.995457 where: bonds (distance) C4'-P energy: -49.961 bonds (distance) P-C4' energy: -53.169 flat angles C4'-P-C4' energy: -64.452 flat angles P-C4'-P energy: -43.008 tors. eta vs tors. theta energy: -70.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -659.431483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.431483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.431483 (E_RNA) where: Base-Base interactions energy: -408.747 where: short stacking energy: -200.519 Base-Backbone interact. energy: 4.095 local terms energy: -254.780149 where: bonds (distance) C4'-P energy: -53.740 bonds (distance) P-C4' energy: -51.477 flat angles C4'-P-C4' energy: -58.355 flat angles P-C4'-P energy: -36.221 tors. eta vs tors. theta energy: -54.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -620.636735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.636735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.636735 (E_RNA) where: Base-Base interactions energy: -378.638 where: short stacking energy: -188.196 Base-Backbone interact. energy: -0.419 local terms energy: -241.579171 where: bonds (distance) C4'-P energy: -51.148 bonds (distance) P-C4' energy: -62.647 flat angles C4'-P-C4' energy: -57.651 flat angles P-C4'-P energy: -37.333 tors. eta vs tors. theta energy: -32.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -373.641646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.641646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.641646 (E_RNA) where: Base-Base interactions energy: -165.877 where: short stacking energy: -115.149 Base-Backbone interact. energy: -1.529 local terms energy: -206.236285 where: bonds (distance) C4'-P energy: -64.565 bonds (distance) P-C4' energy: -51.618 flat angles C4'-P-C4' energy: -40.998 flat angles P-C4'-P energy: -40.864 tors. eta vs tors. theta energy: -8.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -280.243976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.243976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.243976 (E_RNA) where: Base-Base interactions energy: -121.809 where: short stacking energy: -91.631 Base-Backbone interact. energy: 0.923 local terms energy: -159.357933 where: bonds (distance) C4'-P energy: -59.635 bonds (distance) P-C4' energy: -32.226 flat angles C4'-P-C4' energy: -45.248 flat angles P-C4'-P energy: -27.866 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: 1, replica: 9 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -1064.282680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.282680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.282680 (E_RNA) where: Base-Base interactions energy: -739.247 where: short stacking energy: -319.215 Base-Backbone interact. energy: 1.791 local terms energy: -326.826404 where: bonds (distance) C4'-P energy: -63.197 bonds (distance) P-C4' energy: -62.643 flat angles C4'-P-C4' energy: -67.016 flat angles P-C4'-P energy: -41.977 tors. eta vs tors. theta energy: -91.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -1017.761977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.761977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.761977 (E_RNA) where: Base-Base interactions energy: -701.919 where: short stacking energy: -315.441 Base-Backbone interact. energy: -1.635 local terms energy: -314.207748 where: bonds (distance) C4'-P energy: -60.181 bonds (distance) P-C4' energy: -59.657 flat angles C4'-P-C4' energy: -66.081 flat angles P-C4'-P energy: -34.441 tors. eta vs tors. theta energy: -93.849 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: 7 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -989.804844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.804844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.804844 (E_RNA) where: Base-Base interactions energy: -675.463 where: short stacking energy: -276.717 Base-Backbone interact. energy: -2.725 local terms energy: -311.616184 where: bonds (distance) C4'-P energy: -56.764 bonds (distance) P-C4' energy: -64.966 flat angles C4'-P-C4' energy: -67.158 flat angles P-C4'-P energy: -49.219 tors. eta vs tors. theta energy: -73.510 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: 5 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -940.187970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.187970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.187970 (E_RNA) where: Base-Base interactions energy: -638.995 where: short stacking energy: -252.779 Base-Backbone interact. energy: 1.010 local terms energy: -302.202499 where: bonds (distance) C4'-P energy: -60.707 bonds (distance) P-C4' energy: -60.421 flat angles C4'-P-C4' energy: -63.236 flat angles P-C4'-P energy: -47.573 tors. eta vs tors. theta energy: -70.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -876.132018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.132018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.132018 (E_RNA) where: Base-Base interactions energy: -580.589 where: short stacking energy: -266.096 Base-Backbone interact. energy: -0.856 local terms energy: -294.686773 where: bonds (distance) C4'-P energy: -61.264 bonds (distance) P-C4' energy: -57.110 flat angles C4'-P-C4' energy: -58.602 flat angles P-C4'-P energy: -47.956 tors. eta vs tors. theta energy: -69.755 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: 6, replica: 8 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -852.023850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.023850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.023850 (E_RNA) where: Base-Base interactions energy: -574.470 where: short stacking energy: -239.597 Base-Backbone interact. energy: -1.447 local terms energy: -276.107184 where: bonds (distance) C4'-P energy: -53.754 bonds (distance) P-C4' energy: -52.391 flat angles C4'-P-C4' energy: -61.797 flat angles P-C4'-P energy: -39.344 tors. eta vs tors. theta energy: -68.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -650.721189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.721189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.721189 (E_RNA) where: Base-Base interactions energy: -396.172 where: short stacking energy: -190.774 Base-Backbone interact. energy: -1.578 local terms energy: -252.971707 where: bonds (distance) C4'-P energy: -55.185 bonds (distance) P-C4' energy: -57.700 flat angles C4'-P-C4' energy: -60.290 flat angles P-C4'-P energy: -32.682 tors. eta vs tors. theta energy: -47.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -618.067245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.067245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.067245 (E_RNA) where: Base-Base interactions energy: -358.297 where: short stacking energy: -155.240 Base-Backbone interact. energy: -1.439 local terms energy: -258.331240 where: bonds (distance) C4'-P energy: -62.221 bonds (distance) P-C4' energy: -65.790 flat angles C4'-P-C4' energy: -58.714 flat angles P-C4'-P energy: -36.915 tors. eta vs tors. theta energy: -34.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -274.180311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.180311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.180311 (E_RNA) where: Base-Base interactions energy: -97.816 where: short stacking energy: -79.971 Base-Backbone interact. energy: 0.335 local terms energy: -176.699182 where: bonds (distance) C4'-P energy: -49.522 bonds (distance) P-C4' energy: -55.604 flat angles C4'-P-C4' energy: -43.439 flat angles P-C4'-P energy: -23.298 tors. eta vs tors. theta energy: -4.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -342.647461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.647461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.647461 (E_RNA) where: Base-Base interactions energy: -151.272 where: short stacking energy: -88.931 Base-Backbone interact. energy: 2.490 local terms energy: -193.864838 where: bonds (distance) C4'-P energy: -54.173 bonds (distance) P-C4' energy: -59.715 flat angles C4'-P-C4' energy: -49.700 flat angles P-C4'-P energy: -31.425 tors. eta vs tors. theta energy: 1.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -1072.130264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.130264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.130264 (E_RNA) where: Base-Base interactions energy: -733.415 where: short stacking energy: -331.568 Base-Backbone interact. energy: -2.487 local terms energy: -336.228052 where: bonds (distance) C4'-P energy: -63.661 bonds (distance) P-C4' energy: -62.178 flat angles C4'-P-C4' energy: -77.116 flat angles P-C4'-P energy: -42.718 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: 2, replica: 2 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -1023.093640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.093640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.093640 (E_RNA) where: Base-Base interactions energy: -693.837 where: short stacking energy: -310.413 Base-Backbone interact. energy: 3.195 local terms energy: -332.451656 where: bonds (distance) C4'-P energy: -60.690 bonds (distance) P-C4' energy: -64.501 flat angles C4'-P-C4' energy: -69.653 flat angles P-C4'-P energy: -50.832 tors. eta vs tors. theta energy: -86.775 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: 3, replica: 7 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -990.668516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.668516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.668516 (E_RNA) where: Base-Base interactions energy: -679.463 where: short stacking energy: -290.425 Base-Backbone interact. energy: -2.569 local terms energy: -308.636338 where: bonds (distance) C4'-P energy: -64.664 bonds (distance) P-C4' energy: -57.988 flat angles C4'-P-C4' energy: -59.942 flat angles P-C4'-P energy: -50.893 tors. eta vs tors. theta energy: -75.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -931.890979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.890979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.890979 (E_RNA) where: Base-Base interactions energy: -625.853 where: short stacking energy: -261.342 Base-Backbone interact. energy: 0.496 local terms energy: -306.533674 where: bonds (distance) C4'-P energy: -57.972 bonds (distance) P-C4' energy: -67.323 flat angles C4'-P-C4' energy: -67.648 flat angles P-C4'-P energy: -43.216 tors. eta vs tors. theta energy: -70.375 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: 3 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -869.500258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.500258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.500258 (E_RNA) where: Base-Base interactions energy: -568.317 where: short stacking energy: -267.327 Base-Backbone interact. energy: -0.863 local terms energy: -300.320289 where: bonds (distance) C4'-P energy: -54.700 bonds (distance) P-C4' energy: -56.892 flat angles C4'-P-C4' energy: -59.502 flat angles P-C4'-P energy: -45.522 tors. eta vs tors. theta energy: -83.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -872.577743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.577743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.577743 (E_RNA) where: Base-Base interactions energy: -589.009 where: short stacking energy: -246.236 Base-Backbone interact. energy: -0.994 local terms energy: -282.574705 where: bonds (distance) C4'-P energy: -52.485 bonds (distance) P-C4' energy: -57.581 flat angles C4'-P-C4' energy: -56.843 flat angles P-C4'-P energy: -40.556 tors. eta vs tors. theta energy: -75.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -621.230273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.230273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.230273 (E_RNA) where: Base-Base interactions energy: -396.443 where: short stacking energy: -168.136 Base-Backbone interact. energy: -1.271 local terms energy: -223.516500 where: bonds (distance) C4'-P energy: -51.377 bonds (distance) P-C4' energy: -53.294 flat angles C4'-P-C4' energy: -57.997 flat angles P-C4'-P energy: -31.994 tors. eta vs tors. theta energy: -28.854 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: 91 Temperature: 1.250000 Total energy: -623.150006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.150006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.150006 (E_RNA) where: Base-Base interactions energy: -389.834 where: short stacking energy: -166.767 Base-Backbone interact. energy: -0.333 local terms energy: -232.982292 where: bonds (distance) C4'-P energy: -49.719 bonds (distance) P-C4' energy: -62.578 flat angles C4'-P-C4' energy: -53.655 flat angles P-C4'-P energy: -37.639 tors. eta vs tors. theta energy: -29.391 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: 9, replica: 4 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -298.726775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.726775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.726775 (E_RNA) where: Base-Base interactions energy: -118.649 where: short stacking energy: -106.996 Base-Backbone interact. energy: -1.419 local terms energy: -178.658404 where: bonds (distance) C4'-P energy: -49.971 bonds (distance) P-C4' energy: -54.474 flat angles C4'-P-C4' energy: -52.389 flat angles P-C4'-P energy: -17.893 tors. eta vs tors. theta energy: -3.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -310.601656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.601656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.601656 (E_RNA) where: Base-Base interactions energy: -142.465 where: short stacking energy: -96.963 Base-Backbone interact. energy: -1.124 local terms energy: -167.012035 where: bonds (distance) C4'-P energy: -39.983 bonds (distance) P-C4' energy: -44.511 flat angles C4'-P-C4' energy: -51.469 flat angles P-C4'-P energy: -31.159 tors. eta vs tors. theta energy: 0.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -1073.908005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.908005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.908005 (E_RNA) where: Base-Base interactions energy: -736.318 where: short stacking energy: -311.082 Base-Backbone interact. energy: -0.524 local terms energy: -337.065932 where: bonds (distance) C4'-P energy: -61.765 bonds (distance) P-C4' energy: -73.033 flat angles C4'-P-C4' energy: -70.865 flat angles P-C4'-P energy: -46.109 tors. eta vs tors. theta energy: -85.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -1012.932777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.932777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.932777 (E_RNA) where: Base-Base interactions energy: -682.061 where: short stacking energy: -292.597 Base-Backbone interact. energy: -2.448 local terms energy: -328.423085 where: bonds (distance) C4'-P energy: -66.988 bonds (distance) P-C4' energy: -64.552 flat angles C4'-P-C4' energy: -66.665 flat angles P-C4'-P energy: -47.146 tors. eta vs tors. theta energy: -83.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -959.614673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.614673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.614673 (E_RNA) where: Base-Base interactions energy: -654.918 where: short stacking energy: -295.692 Base-Backbone interact. energy: 3.095 local terms energy: -307.791718 where: bonds (distance) C4'-P energy: -50.094 bonds (distance) P-C4' energy: -68.410 flat angles C4'-P-C4' energy: -69.422 flat angles P-C4'-P energy: -43.050 tors. eta vs tors. theta energy: -76.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -958.687761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.687761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.687761 (E_RNA) where: Base-Base interactions energy: -660.762 where: short stacking energy: -268.314 Base-Backbone interact. energy: 1.175 local terms energy: -299.101053 where: bonds (distance) C4'-P energy: -48.781 bonds (distance) P-C4' energy: -66.732 flat angles C4'-P-C4' energy: -72.746 flat angles P-C4'-P energy: -40.731 tors. eta vs tors. theta energy: -70.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -888.777363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.777363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.777363 (E_RNA) where: Base-Base interactions energy: -575.735 where: short stacking energy: -256.265 Base-Backbone interact. energy: -0.092 local terms energy: -312.950475 where: bonds (distance) C4'-P energy: -61.824 bonds (distance) P-C4' energy: -58.478 flat angles C4'-P-C4' energy: -68.636 flat angles P-C4'-P energy: -49.239 tors. eta vs tors. theta energy: -74.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -863.546298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.546298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.546298 (E_RNA) where: Base-Base interactions energy: -564.171 where: short stacking energy: -259.554 Base-Backbone interact. energy: -1.632 local terms energy: -297.742547 where: bonds (distance) C4'-P energy: -56.195 bonds (distance) P-C4' energy: -53.518 flat angles C4'-P-C4' energy: -65.422 flat angles P-C4'-P energy: -42.597 tors. eta vs tors. theta energy: -80.011 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: 1 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -653.183264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.183264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.183264 (E_RNA) where: Base-Base interactions energy: -394.603 where: short stacking energy: -159.881 Base-Backbone interact. energy: 0.866 local terms energy: -259.445744 where: bonds (distance) C4'-P energy: -56.787 bonds (distance) P-C4' energy: -52.471 flat angles C4'-P-C4' energy: -60.114 flat angles P-C4'-P energy: -52.516 tors. eta vs tors. theta energy: -37.558 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: 8, replica: 6 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -645.765020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.765020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.765020 (E_RNA) where: Base-Base interactions energy: -410.037 where: short stacking energy: -204.956 Base-Backbone interact. energy: 0.902 local terms energy: -236.630134 where: bonds (distance) C4'-P energy: -53.915 bonds (distance) P-C4' energy: -37.273 flat angles C4'-P-C4' energy: -52.943 flat angles P-C4'-P energy: -37.937 tors. eta vs tors. theta energy: -54.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -376.657700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.657700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.657700 (E_RNA) where: Base-Base interactions energy: -182.754 where: short stacking energy: -109.418 Base-Backbone interact. energy: -1.047 local terms energy: -192.856808 where: bonds (distance) C4'-P energy: -54.744 bonds (distance) P-C4' energy: -53.750 flat angles C4'-P-C4' energy: -53.902 flat angles P-C4'-P energy: -22.957 tors. eta vs tors. theta energy: -7.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -260.202577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.202577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.202577 (E_RNA) where: Base-Base interactions energy: -111.793 where: short stacking energy: -74.002 Base-Backbone interact. energy: 1.714 local terms energy: -150.123199 where: bonds (distance) C4'-P energy: -53.704 bonds (distance) P-C4' energy: -37.980 flat angles C4'-P-C4' energy: -55.915 flat angles P-C4'-P energy: -16.414 tors. eta vs tors. theta energy: 13.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -1089.699711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.699711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.699711 (E_RNA) where: Base-Base interactions energy: -761.122 where: short stacking energy: -310.389 Base-Backbone interact. energy: -0.912 local terms energy: -327.665249 where: bonds (distance) C4'-P energy: -60.076 bonds (distance) P-C4' energy: -59.145 flat angles C4'-P-C4' energy: -73.801 flat angles P-C4'-P energy: -44.766 tors. eta vs tors. theta energy: -89.877 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: 2 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -1021.737845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.737845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.737845 (E_RNA) where: Base-Base interactions energy: -684.096 where: short stacking energy: -305.678 Base-Backbone interact. energy: -1.477 local terms energy: -336.164446 where: bonds (distance) C4'-P energy: -62.850 bonds (distance) P-C4' energy: -65.607 flat angles C4'-P-C4' energy: -68.257 flat angles P-C4'-P energy: -52.643 tors. eta vs tors. theta energy: -86.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -969.901144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.901144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.901144 (E_RNA) where: Base-Base interactions energy: -657.438 where: short stacking energy: -292.866 Base-Backbone interact. energy: -1.140 local terms energy: -311.322956 where: bonds (distance) C4'-P energy: -56.437 bonds (distance) P-C4' energy: -65.684 flat angles C4'-P-C4' energy: -65.843 flat angles P-C4'-P energy: -45.505 tors. eta vs tors. theta energy: -77.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -934.816924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.816924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.816924 (E_RNA) where: Base-Base interactions energy: -636.199 where: short stacking energy: -248.839 Base-Backbone interact. energy: -0.631 local terms energy: -297.987128 where: bonds (distance) C4'-P energy: -64.058 bonds (distance) P-C4' energy: -60.599 flat angles C4'-P-C4' energy: -61.442 flat angles P-C4'-P energy: -40.702 tors. eta vs tors. theta energy: -71.186 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: 8 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -900.834215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.834215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.834215 (E_RNA) where: Base-Base interactions energy: -597.080 where: short stacking energy: -270.388 Base-Backbone interact. energy: -0.343 local terms energy: -303.411099 where: bonds (distance) C4'-P energy: -60.691 bonds (distance) P-C4' energy: -65.784 flat angles C4'-P-C4' energy: -66.335 flat angles P-C4'-P energy: -38.722 tors. eta vs tors. theta energy: -71.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -906.632241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.632241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.632241 (E_RNA) where: Base-Base interactions energy: -608.905 where: short stacking energy: -288.322 Base-Backbone interact. energy: -1.020 local terms energy: -296.707234 where: bonds (distance) C4'-P energy: -51.383 bonds (distance) P-C4' energy: -60.450 flat angles C4'-P-C4' energy: -68.490 flat angles P-C4'-P energy: -31.741 tors. eta vs tors. theta energy: -84.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -700.710219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.710219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.710219 (E_RNA) where: Base-Base interactions energy: -448.717 where: short stacking energy: -199.468 Base-Backbone interact. energy: -2.082 local terms energy: -249.911624 where: bonds (distance) C4'-P energy: -54.659 bonds (distance) P-C4' energy: -58.361 flat angles C4'-P-C4' energy: -47.097 flat angles P-C4'-P energy: -40.851 tors. eta vs tors. theta energy: -48.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -599.607409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.607409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.607409 (E_RNA) where: Base-Base interactions energy: -355.207 where: short stacking energy: -167.432 Base-Backbone interact. energy: 0.161 local terms energy: -244.560570 where: bonds (distance) C4'-P energy: -54.129 bonds (distance) P-C4' energy: -65.900 flat angles C4'-P-C4' energy: -53.843 flat angles P-C4'-P energy: -36.777 tors. eta vs tors. theta energy: -33.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -369.929903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.929903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.929903 (E_RNA) where: Base-Base interactions energy: -162.265 where: short stacking energy: -96.757 Base-Backbone interact. energy: -0.260 local terms energy: -207.405446 where: bonds (distance) C4'-P energy: -58.893 bonds (distance) P-C4' energy: -61.885 flat angles C4'-P-C4' energy: -46.798 flat angles P-C4'-P energy: -44.083 tors. eta vs tors. theta energy: 4.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -255.357261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.357261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.357261 (E_RNA) where: Base-Base interactions energy: -95.670 where: short stacking energy: -77.377 Base-Backbone interact. energy: 2.408 local terms energy: -162.094910 where: bonds (distance) C4'-P energy: -52.590 bonds (distance) P-C4' energy: -54.878 flat angles C4'-P-C4' energy: -42.195 flat angles P-C4'-P energy: -22.247 tors. eta vs tors. theta energy: 9.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -1098.839387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.839387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.839387 (E_RNA) where: Base-Base interactions energy: -763.357 where: short stacking energy: -326.840 Base-Backbone interact. energy: -1.186 local terms energy: -334.296514 where: bonds (distance) C4'-P energy: -64.588 bonds (distance) P-C4' energy: -68.464 flat angles C4'-P-C4' energy: -71.094 flat angles P-C4'-P energy: -38.158 tors. eta vs tors. theta energy: -91.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -1039.556835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.556835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.556835 (E_RNA) where: Base-Base interactions energy: -703.444 where: short stacking energy: -309.595 Base-Backbone interact. energy: -1.125 local terms energy: -334.987849 where: bonds (distance) C4'-P energy: -70.195 bonds (distance) P-C4' energy: -59.252 flat angles C4'-P-C4' energy: -68.079 flat angles P-C4'-P energy: -49.630 tors. eta vs tors. theta energy: -87.832 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: 5 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -990.950730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.950730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.950730 (E_RNA) where: Base-Base interactions energy: -666.111 where: short stacking energy: -278.025 Base-Backbone interact. energy: -2.145 local terms energy: -322.694665 where: bonds (distance) C4'-P energy: -64.520 bonds (distance) P-C4' energy: -63.960 flat angles C4'-P-C4' energy: -73.105 flat angles P-C4'-P energy: -40.023 tors. eta vs tors. theta energy: -81.086 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: 7 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -962.059833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.059833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.059833 (E_RNA) where: Base-Base interactions energy: -663.530 where: short stacking energy: -285.665 Base-Backbone interact. energy: -1.833 local terms energy: -296.696766 where: bonds (distance) C4'-P energy: -50.971 bonds (distance) P-C4' energy: -61.445 flat angles C4'-P-C4' energy: -66.618 flat angles P-C4'-P energy: -40.678 tors. eta vs tors. theta energy: -76.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -964.009174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.009174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.009174 (E_RNA) where: Base-Base interactions energy: -646.652 where: short stacking energy: -282.860 Base-Backbone interact. energy: -1.958 local terms energy: -315.399609 where: bonds (distance) C4'-P energy: -51.986 bonds (distance) P-C4' energy: -69.644 flat angles C4'-P-C4' energy: -71.897 flat angles P-C4'-P energy: -45.434 tors. eta vs tors. theta energy: -76.439 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: 3 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -878.703501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.703501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.703501 (E_RNA) where: Base-Base interactions energy: -604.873 where: short stacking energy: -258.175 Base-Backbone interact. energy: -0.592 local terms energy: -273.238027 where: bonds (distance) C4'-P energy: -58.626 bonds (distance) P-C4' energy: -55.935 flat angles C4'-P-C4' energy: -53.422 flat angles P-C4'-P energy: -26.420 tors. eta vs tors. theta energy: -78.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -624.590215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.590215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.590215 (E_RNA) where: Base-Base interactions energy: -389.468 where: short stacking energy: -180.659 Base-Backbone interact. energy: 3.171 local terms energy: -238.293749 where: bonds (distance) C4'-P energy: -55.474 bonds (distance) P-C4' energy: -59.008 flat angles C4'-P-C4' energy: -61.486 flat angles P-C4'-P energy: -38.113 tors. eta vs tors. theta energy: -24.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -663.281969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.281969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.281969 (E_RNA) where: Base-Base interactions energy: -422.061 where: short stacking energy: -179.473 Base-Backbone interact. energy: 0.810 local terms energy: -242.030498 where: bonds (distance) C4'-P energy: -45.410 bonds (distance) P-C4' energy: -60.504 flat angles C4'-P-C4' energy: -62.081 flat angles P-C4'-P energy: -35.733 tors. eta vs tors. theta energy: -38.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -352.245295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.245295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.245295 (E_RNA) where: Base-Base interactions energy: -158.898 where: short stacking energy: -98.632 Base-Backbone interact. energy: -0.943 local terms energy: -192.404244 where: bonds (distance) C4'-P energy: -49.352 bonds (distance) P-C4' energy: -61.860 flat angles C4'-P-C4' energy: -45.659 flat angles P-C4'-P energy: -33.095 tors. eta vs tors. theta energy: -2.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -272.801053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.801053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.801053 (E_RNA) where: Base-Base interactions energy: -98.130 where: short stacking energy: -89.409 Base-Backbone interact. energy: -1.460 local terms energy: -173.211153 where: bonds (distance) C4'-P energy: -45.050 bonds (distance) P-C4' energy: -60.801 flat angles C4'-P-C4' energy: -40.432 flat angles P-C4'-P energy: -26.352 tors. eta vs tors. theta energy: -0.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -1098.428302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.428302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.428302 (E_RNA) where: Base-Base interactions energy: -765.539 where: short stacking energy: -321.474 Base-Backbone interact. energy: 0.403 local terms energy: -333.292448 where: bonds (distance) C4'-P energy: -55.847 bonds (distance) P-C4' energy: -75.895 flat angles C4'-P-C4' energy: -66.490 flat angles P-C4'-P energy: -44.806 tors. eta vs tors. theta energy: -90.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -1040.813025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.813025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.813025 (E_RNA) where: Base-Base interactions energy: -703.959 where: short stacking energy: -317.761 Base-Backbone interact. energy: -0.977 local terms energy: -335.876678 where: bonds (distance) C4'-P energy: -59.614 bonds (distance) P-C4' energy: -66.198 flat angles C4'-P-C4' energy: -70.619 flat angles P-C4'-P energy: -45.886 tors. eta vs tors. theta energy: -93.560 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: 3, replica: 5 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -965.772376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.772376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.772376 (E_RNA) where: Base-Base interactions energy: -659.209 where: short stacking energy: -294.211 Base-Backbone interact. energy: -1.966 local terms energy: -304.596883 where: bonds (distance) C4'-P energy: -64.432 bonds (distance) P-C4' energy: -57.622 flat angles C4'-P-C4' energy: -71.455 flat angles P-C4'-P energy: -40.212 tors. eta vs tors. theta energy: -70.876 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: 4, replica: 7 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -945.158372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.158372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.158372 (E_RNA) where: Base-Base interactions energy: -628.099 where: short stacking energy: -275.584 Base-Backbone interact. energy: -0.230 local terms energy: -316.829556 where: bonds (distance) C4'-P energy: -63.188 bonds (distance) P-C4' energy: -67.486 flat angles C4'-P-C4' energy: -67.162 flat angles P-C4'-P energy: -40.279 tors. eta vs tors. theta energy: -78.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -928.150894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.150894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.150894 (E_RNA) where: Base-Base interactions energy: -623.903 where: short stacking energy: -256.172 Base-Backbone interact. energy: -0.533 local terms energy: -303.715064 where: bonds (distance) C4'-P energy: -52.147 bonds (distance) P-C4' energy: -63.984 flat angles C4'-P-C4' energy: -67.536 flat angles P-C4'-P energy: -48.496 tors. eta vs tors. theta energy: -71.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -852.166060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.166060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.166060 (E_RNA) where: Base-Base interactions energy: -557.906 where: short stacking energy: -272.721 Base-Backbone interact. energy: -1.311 local terms energy: -292.949472 where: bonds (distance) C4'-P energy: -55.082 bonds (distance) P-C4' energy: -60.512 flat angles C4'-P-C4' energy: -70.919 flat angles P-C4'-P energy: -33.427 tors. eta vs tors. theta energy: -73.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -666.541052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.541052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.541052 (E_RNA) where: Base-Base interactions energy: -431.722 where: short stacking energy: -193.471 Base-Backbone interact. energy: -2.385 local terms energy: -232.434303 where: bonds (distance) C4'-P energy: -57.056 bonds (distance) P-C4' energy: -48.281 flat angles C4'-P-C4' energy: -47.873 flat angles P-C4'-P energy: -32.452 tors. eta vs tors. theta energy: -46.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -656.223183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.223183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.223183 (E_RNA) where: Base-Base interactions energy: -418.735 where: short stacking energy: -180.881 Base-Backbone interact. energy: -2.942 local terms energy: -234.546216 where: bonds (distance) C4'-P energy: -56.546 bonds (distance) P-C4' energy: -47.672 flat angles C4'-P-C4' energy: -49.717 flat angles P-C4'-P energy: -37.705 tors. eta vs tors. theta energy: -42.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -345.653116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.653116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.653116 (E_RNA) where: Base-Base interactions energy: -143.690 where: short stacking energy: -68.744 Base-Backbone interact. energy: -1.950 local terms energy: -200.013678 where: bonds (distance) C4'-P energy: -56.599 bonds (distance) P-C4' energy: -58.661 flat angles C4'-P-C4' energy: -55.219 flat angles P-C4'-P energy: -38.066 tors. eta vs tors. theta energy: 8.532 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: 4 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -265.634829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.634829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.634829 (E_RNA) where: Base-Base interactions energy: -91.602 where: short stacking energy: -84.351 Base-Backbone interact. energy: -0.909 local terms energy: -173.123932 where: bonds (distance) C4'-P energy: -58.275 bonds (distance) P-C4' energy: -58.312 flat angles C4'-P-C4' energy: -43.907 flat angles P-C4'-P energy: -19.960 tors. eta vs tors. theta energy: 7.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -1098.055054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.055054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.055054 (E_RNA) where: Base-Base interactions energy: -746.123 where: short stacking energy: -319.808 Base-Backbone interact. energy: -1.360 local terms energy: -350.571787 where: bonds (distance) C4'-P energy: -61.135 bonds (distance) P-C4' energy: -74.214 flat angles C4'-P-C4' energy: -72.980 flat angles P-C4'-P energy: -43.804 tors. eta vs tors. theta energy: -98.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -1044.293660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.293660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.293660 (E_RNA) where: Base-Base interactions energy: -701.470 where: short stacking energy: -309.249 Base-Backbone interact. energy: -0.846 local terms energy: -341.978140 where: bonds (distance) C4'-P energy: -67.027 bonds (distance) P-C4' energy: -62.748 flat angles C4'-P-C4' energy: -66.328 flat angles P-C4'-P energy: -50.348 tors. eta vs tors. theta energy: -95.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -990.463761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.463761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.463761 (E_RNA) where: Base-Base interactions energy: -676.201 where: short stacking energy: -290.540 Base-Backbone interact. energy: -3.688 local terms energy: -310.574546 where: bonds (distance) C4'-P energy: -54.427 bonds (distance) P-C4' energy: -62.149 flat angles C4'-P-C4' energy: -67.564 flat angles P-C4'-P energy: -44.885 tors. eta vs tors. theta energy: -81.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -907.766401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.766401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.766401 (E_RNA) where: Base-Base interactions energy: -623.764 where: short stacking energy: -275.775 Base-Backbone interact. energy: -2.135 local terms energy: -281.866564 where: bonds (distance) C4'-P energy: -46.684 bonds (distance) P-C4' energy: -59.885 flat angles C4'-P-C4' energy: -64.992 flat angles P-C4'-P energy: -40.948 tors. eta vs tors. theta energy: -69.357 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: 8 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -932.589421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.589421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.589421 (E_RNA) where: Base-Base interactions energy: -658.212 where: short stacking energy: -249.698 Base-Backbone interact. energy: -0.728 local terms energy: -273.648732 where: bonds (distance) C4'-P energy: -49.193 bonds (distance) P-C4' energy: -68.680 flat angles C4'-P-C4' energy: -56.559 flat angles P-C4'-P energy: -38.841 tors. eta vs tors. theta energy: -60.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -894.831364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.831364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.831364 (E_RNA) where: Base-Base interactions energy: -589.568 where: short stacking energy: -254.731 Base-Backbone interact. energy: -0.983 local terms energy: -304.279819 where: bonds (distance) C4'-P energy: -65.832 bonds (distance) P-C4' energy: -58.000 flat angles C4'-P-C4' energy: -61.139 flat angles P-C4'-P energy: -36.570 tors. eta vs tors. theta energy: -82.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -672.692435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.692435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.692435 (E_RNA) where: Base-Base interactions energy: -419.829 where: short stacking energy: -202.455 Base-Backbone interact. energy: -1.032 local terms energy: -251.830933 where: bonds (distance) C4'-P energy: -47.430 bonds (distance) P-C4' energy: -65.746 flat angles C4'-P-C4' energy: -63.462 flat angles P-C4'-P energy: -38.078 tors. eta vs tors. theta energy: -37.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -598.112356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.112356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.112356 (E_RNA) where: Base-Base interactions energy: -388.344 where: short stacking energy: -190.213 Base-Backbone interact. energy: -1.282 local terms energy: -208.487072 where: bonds (distance) C4'-P energy: -55.040 bonds (distance) P-C4' energy: -41.287 flat angles C4'-P-C4' energy: -53.874 flat angles P-C4'-P energy: -24.091 tors. eta vs tors. theta energy: -34.194 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: 10 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -367.501683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.501683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.501683 (E_RNA) where: Base-Base interactions energy: -171.962 where: short stacking energy: -107.463 Base-Backbone interact. energy: 0.171 local terms energy: -195.710311 where: bonds (distance) C4'-P energy: -52.481 bonds (distance) P-C4' energy: -68.493 flat angles C4'-P-C4' energy: -40.348 flat angles P-C4'-P energy: -33.286 tors. eta vs tors. theta energy: -1.103 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: 10, replica: 4 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -256.842885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.842885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.842885 (E_RNA) where: Base-Base interactions energy: -85.325 where: short stacking energy: -64.780 Base-Backbone interact. energy: -2.941 local terms energy: -168.576468 where: bonds (distance) C4'-P energy: -49.464 bonds (distance) P-C4' energy: -58.853 flat angles C4'-P-C4' energy: -50.701 flat angles P-C4'-P energy: -26.431 tors. eta vs tors. theta energy: 16.872 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: 1, replica: 9 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -1088.166011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.166011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.166011 (E_RNA) where: Base-Base interactions energy: -757.868 where: short stacking energy: -312.694 Base-Backbone interact. energy: 3.569 local terms energy: -333.867012 where: bonds (distance) C4'-P energy: -62.858 bonds (distance) P-C4' energy: -64.596 flat angles C4'-P-C4' energy: -71.348 flat angles P-C4'-P energy: -43.296 tors. eta vs tors. theta energy: -91.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -1030.777137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.777137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.777137 (E_RNA) where: Base-Base interactions energy: -706.661 where: short stacking energy: -296.016 Base-Backbone interact. energy: -0.581 local terms energy: -323.534641 where: bonds (distance) C4'-P energy: -56.106 bonds (distance) P-C4' energy: -63.483 flat angles C4'-P-C4' energy: -70.618 flat angles P-C4'-P energy: -41.612 tors. eta vs tors. theta energy: -91.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -955.308253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.308253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.308253 (E_RNA) where: Base-Base interactions energy: -639.465 where: short stacking energy: -278.833 Base-Backbone interact. energy: -1.992 local terms energy: -313.850886 where: bonds (distance) C4'-P energy: -49.548 bonds (distance) P-C4' energy: -65.093 flat angles C4'-P-C4' energy: -75.447 flat angles P-C4'-P energy: -43.500 tors. eta vs tors. theta energy: -80.263 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: 5 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -929.023706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.023706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.023706 (E_RNA) where: Base-Base interactions energy: -615.580 where: short stacking energy: -250.318 Base-Backbone interact. energy: 0.733 local terms energy: -314.177105 where: bonds (distance) C4'-P energy: -62.393 bonds (distance) P-C4' energy: -62.952 flat angles C4'-P-C4' energy: -67.336 flat angles P-C4'-P energy: -49.168 tors. eta vs tors. theta energy: -72.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -881.920449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.920449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.920449 (E_RNA) where: Base-Base interactions energy: -592.145 where: short stacking energy: -252.871 Base-Backbone interact. energy: -1.583 local terms energy: -288.192513 where: bonds (distance) C4'-P energy: -60.276 bonds (distance) P-C4' energy: -53.911 flat angles C4'-P-C4' energy: -68.055 flat angles P-C4'-P energy: -44.349 tors. eta vs tors. theta energy: -61.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -913.235817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.235817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.235817 (E_RNA) where: Base-Base interactions energy: -613.368 where: short stacking energy: -258.571 Base-Backbone interact. energy: -1.218 local terms energy: -298.650074 where: bonds (distance) C4'-P energy: -57.541 bonds (distance) P-C4' energy: -54.340 flat angles C4'-P-C4' energy: -63.279 flat angles P-C4'-P energy: -40.792 tors. eta vs tors. theta energy: -82.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -678.030911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.030911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.030911 (E_RNA) where: Base-Base interactions energy: -435.759 where: short stacking energy: -198.304 Base-Backbone interact. energy: 3.399 local terms energy: -245.670856 where: bonds (distance) C4'-P energy: -47.926 bonds (distance) P-C4' energy: -62.215 flat angles C4'-P-C4' energy: -55.794 flat angles P-C4'-P energy: -37.114 tors. eta vs tors. theta energy: -42.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -629.480464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.480464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.480464 (E_RNA) where: Base-Base interactions energy: -390.306 where: short stacking energy: -177.140 Base-Backbone interact. energy: 0.433 local terms energy: -239.607789 where: bonds (distance) C4'-P energy: -59.733 bonds (distance) P-C4' energy: -60.165 flat angles C4'-P-C4' energy: -56.196 flat angles P-C4'-P energy: -30.706 tors. eta vs tors. theta energy: -32.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -363.114353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.114353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.114353 (E_RNA) where: Base-Base interactions energy: -176.744 where: short stacking energy: -116.333 Base-Backbone interact. energy: -0.662 local terms energy: -185.707748 where: bonds (distance) C4'-P energy: -50.391 bonds (distance) P-C4' energy: -55.740 flat angles C4'-P-C4' energy: -42.258 flat angles P-C4'-P energy: -27.948 tors. eta vs tors. theta energy: -9.370 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: 10, replica: 4 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -261.702814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.702814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.702814 (E_RNA) where: Base-Base interactions energy: -84.384 where: short stacking energy: -78.316 Base-Backbone interact. energy: -0.615 local terms energy: -176.703307 where: bonds (distance) C4'-P energy: -44.113 bonds (distance) P-C4' energy: -74.096 flat angles C4'-P-C4' energy: -35.815 flat angles P-C4'-P energy: -29.761 tors. eta vs tors. theta energy: 7.083 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: 1, replica: 9 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -1076.233487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.233487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.233487 (E_RNA) where: Base-Base interactions energy: -740.716 where: short stacking energy: -311.469 Base-Backbone interact. energy: -1.367 local terms energy: -334.150662 where: bonds (distance) C4'-P energy: -65.632 bonds (distance) P-C4' energy: -59.601 flat angles C4'-P-C4' energy: -69.648 flat angles P-C4'-P energy: -46.493 tors. eta vs tors. theta energy: -92.777 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: 2 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -1035.325093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.325093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.325093 (E_RNA) where: Base-Base interactions energy: -711.764 where: short stacking energy: -309.336 Base-Backbone interact. energy: -2.408 local terms energy: -321.152800 where: bonds (distance) C4'-P energy: -60.584 bonds (distance) P-C4' energy: -59.031 flat angles C4'-P-C4' energy: -65.831 flat angles P-C4'-P energy: -47.732 tors. eta vs tors. theta energy: -87.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -951.612666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.612666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.612666 (E_RNA) where: Base-Base interactions energy: -623.595 where: short stacking energy: -275.285 Base-Backbone interact. energy: -2.631 local terms energy: -325.386302 where: bonds (distance) C4'-P energy: -63.163 bonds (distance) P-C4' energy: -64.927 flat angles C4'-P-C4' energy: -67.309 flat angles P-C4'-P energy: -44.556 tors. eta vs tors. theta energy: -85.432 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: 5 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -941.567056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.567056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.567056 (E_RNA) where: Base-Base interactions energy: -656.902 where: short stacking energy: -259.971 Base-Backbone interact. energy: 1.629 local terms energy: -286.293947 where: bonds (distance) C4'-P energy: -56.885 bonds (distance) P-C4' energy: -53.861 flat angles C4'-P-C4' energy: -57.809 flat angles P-C4'-P energy: -44.619 tors. eta vs tors. theta energy: -73.119 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: 3 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -930.479570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.479570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.479570 (E_RNA) where: Base-Base interactions energy: -617.042 where: short stacking energy: -275.808 Base-Backbone interact. energy: 1.224 local terms energy: -314.660783 where: bonds (distance) C4'-P energy: -64.363 bonds (distance) P-C4' energy: -63.246 flat angles C4'-P-C4' energy: -61.379 flat angles P-C4'-P energy: -41.769 tors. eta vs tors. theta energy: -83.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -826.486201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.486201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.486201 (E_RNA) where: Base-Base interactions energy: -537.846 where: short stacking energy: -214.386 Base-Backbone interact. energy: -2.917 local terms energy: -285.722521 where: bonds (distance) C4'-P energy: -53.542 bonds (distance) P-C4' energy: -57.305 flat angles C4'-P-C4' energy: -69.285 flat angles P-C4'-P energy: -33.619 tors. eta vs tors. theta energy: -71.971 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: 1 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -641.476222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.476222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.476222 (E_RNA) where: Base-Base interactions energy: -394.107 where: short stacking energy: -198.961 Base-Backbone interact. energy: 2.785 local terms energy: -250.153388 where: bonds (distance) C4'-P energy: -52.294 bonds (distance) P-C4' energy: -52.630 flat angles C4'-P-C4' energy: -64.686 flat angles P-C4'-P energy: -40.191 tors. eta vs tors. theta energy: -40.353 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: 6 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -625.119414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.119414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.119414 (E_RNA) where: Base-Base interactions energy: -381.338 where: short stacking energy: -179.313 Base-Backbone interact. energy: 2.490 local terms energy: -246.271189 where: bonds (distance) C4'-P energy: -58.682 bonds (distance) P-C4' energy: -58.829 flat angles C4'-P-C4' energy: -58.687 flat angles P-C4'-P energy: -41.661 tors. eta vs tors. theta energy: -28.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -374.362008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.362008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.362008 (E_RNA) where: Base-Base interactions energy: -169.602 where: short stacking energy: -118.458 Base-Backbone interact. energy: 3.990 local terms energy: -208.749787 where: bonds (distance) C4'-P energy: -46.808 bonds (distance) P-C4' energy: -57.855 flat angles C4'-P-C4' energy: -54.456 flat angles P-C4'-P energy: -37.004 tors. eta vs tors. theta energy: -12.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -269.684913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.684913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.684913 (E_RNA) where: Base-Base interactions energy: -95.835 where: short stacking energy: -92.366 Base-Backbone interact. energy: -0.628 local terms energy: -173.221767 where: bonds (distance) C4'-P energy: -48.852 bonds (distance) P-C4' energy: -49.155 flat angles C4'-P-C4' energy: -48.324 flat angles P-C4'-P energy: -20.053 tors. eta vs tors. theta energy: -6.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -1080.323806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.323806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.323806 (E_RNA) where: Base-Base interactions energy: -754.570 where: short stacking energy: -318.757 Base-Backbone interact. energy: 1.400 local terms energy: -327.154142 where: bonds (distance) C4'-P energy: -61.006 bonds (distance) P-C4' energy: -54.891 flat angles C4'-P-C4' energy: -75.641 flat angles P-C4'-P energy: -48.619 tors. eta vs tors. theta energy: -86.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -1015.102866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.102866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.102866 (E_RNA) where: Base-Base interactions energy: -672.387 where: short stacking energy: -301.105 Base-Backbone interact. energy: -1.848 local terms energy: -340.867546 where: bonds (distance) C4'-P energy: -58.220 bonds (distance) P-C4' energy: -69.052 flat angles C4'-P-C4' energy: -76.289 flat angles P-C4'-P energy: -48.482 tors. eta vs tors. theta energy: -88.825 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: 7 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -991.701546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.701546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.701546 (E_RNA) where: Base-Base interactions energy: -658.884 where: short stacking energy: -293.330 Base-Backbone interact. energy: -0.165 local terms energy: -332.653116 where: bonds (distance) C4'-P energy: -62.183 bonds (distance) P-C4' energy: -65.114 flat angles C4'-P-C4' energy: -79.057 flat angles P-C4'-P energy: -37.845 tors. eta vs tors. theta energy: -88.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -935.445651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.445651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.445651 (E_RNA) where: Base-Base interactions energy: -639.777 where: short stacking energy: -262.657 Base-Backbone interact. energy: -2.881 local terms energy: -292.788099 where: bonds (distance) C4'-P energy: -59.366 bonds (distance) P-C4' energy: -62.685 flat angles C4'-P-C4' energy: -68.653 flat angles P-C4'-P energy: -29.137 tors. eta vs tors. theta energy: -72.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -944.577607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.577607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.577607 (E_RNA) where: Base-Base interactions energy: -636.597 where: short stacking energy: -271.002 Base-Backbone interact. energy: -0.573 local terms energy: -307.407293 where: bonds (distance) C4'-P energy: -58.814 bonds (distance) P-C4' energy: -59.668 flat angles C4'-P-C4' energy: -62.125 flat angles P-C4'-P energy: -42.798 tors. eta vs tors. theta energy: -84.002 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: 8 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -774.434206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.434206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.434206 (E_RNA) where: Base-Base interactions energy: -505.223 where: short stacking energy: -222.395 Base-Backbone interact. energy: -3.065 local terms energy: -266.146154 where: bonds (distance) C4'-P energy: -54.221 bonds (distance) P-C4' energy: -61.376 flat angles C4'-P-C4' energy: -62.016 flat angles P-C4'-P energy: -35.459 tors. eta vs tors. theta energy: -53.073 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: 1 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -645.836784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.836784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.836784 (E_RNA) where: Base-Base interactions energy: -380.014 where: short stacking energy: -198.359 Base-Backbone interact. energy: -1.204 local terms energy: -264.618714 where: bonds (distance) C4'-P energy: -57.718 bonds (distance) P-C4' energy: -62.435 flat angles C4'-P-C4' energy: -58.423 flat angles P-C4'-P energy: -37.649 tors. eta vs tors. theta energy: -48.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -581.918660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.918660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.918660 (E_RNA) where: Base-Base interactions energy: -379.681 where: short stacking energy: -163.879 Base-Backbone interact. energy: 0.355 local terms energy: -202.592775 where: bonds (distance) C4'-P energy: -54.597 bonds (distance) P-C4' energy: -53.324 flat angles C4'-P-C4' energy: -58.733 flat angles P-C4'-P energy: -21.957 tors. eta vs tors. theta energy: -13.981 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: 10 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -351.604879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.604879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.604879 (E_RNA) where: Base-Base interactions energy: -162.801 where: short stacking energy: -100.571 Base-Backbone interact. energy: 0.308 local terms energy: -189.112122 where: bonds (distance) C4'-P energy: -48.659 bonds (distance) P-C4' energy: -62.016 flat angles C4'-P-C4' energy: -51.343 flat angles P-C4'-P energy: -20.277 tors. eta vs tors. theta energy: -6.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -267.320114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.320114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.320114 (E_RNA) where: Base-Base interactions energy: -102.538 where: short stacking energy: -56.892 Base-Backbone interact. energy: 0.085 local terms energy: -164.867275 where: bonds (distance) C4'-P energy: -51.225 bonds (distance) P-C4' energy: -48.009 flat angles C4'-P-C4' energy: -34.896 flat angles P-C4'-P energy: -47.836 tors. eta vs tors. theta energy: 17.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -1100.626170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.626170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.626170 (E_RNA) where: Base-Base interactions energy: -772.809 where: short stacking energy: -319.846 Base-Backbone interact. energy: -1.732 local terms energy: -326.084387 where: bonds (distance) C4'-P energy: -60.206 bonds (distance) P-C4' energy: -63.397 flat angles C4'-P-C4' energy: -56.400 flat angles P-C4'-P energy: -46.744 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: 2, replica: 2 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -1026.909839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.909839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.909839 (E_RNA) where: Base-Base interactions energy: -673.052 where: short stacking energy: -306.899 Base-Backbone interact. energy: -1.573 local terms energy: -352.284483 where: bonds (distance) C4'-P energy: -68.707 bonds (distance) P-C4' energy: -69.962 flat angles C4'-P-C4' energy: -71.248 flat angles P-C4'-P energy: -54.221 tors. eta vs tors. theta energy: -88.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -977.994374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.994374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.994374 (E_RNA) where: Base-Base interactions energy: -681.243 where: short stacking energy: -301.530 Base-Backbone interact. energy: -2.128 local terms energy: -294.623577 where: bonds (distance) C4'-P energy: -47.710 bonds (distance) P-C4' energy: -58.740 flat angles C4'-P-C4' energy: -62.658 flat angles P-C4'-P energy: -42.222 tors. eta vs tors. theta energy: -83.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -930.286854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.286854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.286854 (E_RNA) where: Base-Base interactions energy: -648.636 where: short stacking energy: -280.461 Base-Backbone interact. energy: 3.544 local terms energy: -285.195548 where: bonds (distance) C4'-P energy: -55.941 bonds (distance) P-C4' energy: -54.852 flat angles C4'-P-C4' energy: -59.747 flat angles P-C4'-P energy: -44.067 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: 5, replica: 3 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -924.562853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.562853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.562853 (E_RNA) where: Base-Base interactions energy: -633.422 where: short stacking energy: -282.871 Base-Backbone interact. energy: -1.234 local terms energy: -289.906068 where: bonds (distance) C4'-P energy: -53.939 bonds (distance) P-C4' energy: -53.234 flat angles C4'-P-C4' energy: -64.994 flat angles P-C4'-P energy: -36.233 tors. eta vs tors. theta energy: -81.505 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: 8 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -784.145087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.145087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.145087 (E_RNA) where: Base-Base interactions energy: -512.136 where: short stacking energy: -222.842 Base-Backbone interact. energy: 1.651 local terms energy: -273.659864 where: bonds (distance) C4'-P energy: -47.134 bonds (distance) P-C4' energy: -62.282 flat angles C4'-P-C4' energy: -63.624 flat angles P-C4'-P energy: -44.476 tors. eta vs tors. theta energy: -56.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -630.666217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.666217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.666217 (E_RNA) where: Base-Base interactions energy: -415.733 where: short stacking energy: -184.259 Base-Backbone interact. energy: 0.418 local terms energy: -215.350901 where: bonds (distance) C4'-P energy: -52.624 bonds (distance) P-C4' energy: -60.410 flat angles C4'-P-C4' energy: -39.659 flat angles P-C4'-P energy: -28.014 tors. eta vs tors. theta energy: -34.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -606.822954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.822954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.822954 (E_RNA) where: Base-Base interactions energy: -376.625 where: short stacking energy: -187.743 Base-Backbone interact. energy: -0.233 local terms energy: -229.965095 where: bonds (distance) C4'-P energy: -65.367 bonds (distance) P-C4' energy: -51.990 flat angles C4'-P-C4' energy: -55.980 flat angles P-C4'-P energy: -21.358 tors. eta vs tors. theta energy: -35.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -300.271998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.271998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.271998 (E_RNA) where: Base-Base interactions energy: -124.725 where: short stacking energy: -78.563 Base-Backbone interact. energy: -0.190 local terms energy: -175.356852 where: bonds (distance) C4'-P energy: -51.271 bonds (distance) P-C4' energy: -60.992 flat angles C4'-P-C4' energy: -45.202 flat angles P-C4'-P energy: -21.274 tors. eta vs tors. theta energy: 3.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -308.812004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.812004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.812004 (E_RNA) where: Base-Base interactions energy: -127.655 where: short stacking energy: -91.259 Base-Backbone interact. energy: 2.071 local terms energy: -183.228203 where: bonds (distance) C4'-P energy: -53.736 bonds (distance) P-C4' energy: -52.999 flat angles C4'-P-C4' energy: -57.935 flat angles P-C4'-P energy: -19.585 tors. eta vs tors. theta energy: 1.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -1102.717186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.717186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.717186 (E_RNA) where: Base-Base interactions energy: -776.499 where: short stacking energy: -310.817 Base-Backbone interact. energy: -1.535 local terms energy: -324.683155 where: bonds (distance) C4'-P energy: -53.103 bonds (distance) P-C4' energy: -66.603 flat angles C4'-P-C4' energy: -62.755 flat angles P-C4'-P energy: -43.466 tors. eta vs tors. theta energy: -98.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -956.489734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.489734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.489734 (E_RNA) where: Base-Base interactions energy: -657.041 where: short stacking energy: -258.842 Base-Backbone interact. energy: 0.081 local terms energy: -299.530069 where: bonds (distance) C4'-P energy: -49.970 bonds (distance) P-C4' energy: -62.868 flat angles C4'-P-C4' energy: -71.280 flat angles P-C4'-P energy: -38.871 tors. eta vs tors. theta energy: -76.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -986.456804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.456804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.456804 (E_RNA) where: Base-Base interactions energy: -661.176 where: short stacking energy: -295.468 Base-Backbone interact. energy: 1.035 local terms energy: -326.315972 where: bonds (distance) C4'-P energy: -69.972 bonds (distance) P-C4' energy: -53.456 flat angles C4'-P-C4' energy: -65.425 flat angles P-C4'-P energy: -51.411 tors. eta vs tors. theta energy: -86.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -1006.865260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.865260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.865260 (E_RNA) where: Base-Base interactions energy: -687.121 where: short stacking energy: -303.529 Base-Backbone interact. energy: -1.762 local terms energy: -317.982735 where: bonds (distance) C4'-P energy: -55.728 bonds (distance) P-C4' energy: -62.183 flat angles C4'-P-C4' energy: -66.228 flat angles P-C4'-P energy: -41.890 tors. eta vs tors. theta energy: -91.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -902.090240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.090240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.090240 (E_RNA) where: Base-Base interactions energy: -614.289 where: short stacking energy: -262.773 Base-Backbone interact. energy: -0.138 local terms energy: -287.663230 where: bonds (distance) C4'-P energy: -61.385 bonds (distance) P-C4' energy: -57.689 flat angles C4'-P-C4' energy: -70.718 flat angles P-C4'-P energy: -32.615 tors. eta vs tors. theta energy: -65.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -796.260490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.260490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.260490 (E_RNA) where: Base-Base interactions energy: -534.647 where: short stacking energy: -222.266 Base-Backbone interact. energy: 1.989 local terms energy: -263.603094 where: bonds (distance) C4'-P energy: -61.862 bonds (distance) P-C4' energy: -53.017 flat angles C4'-P-C4' energy: -54.048 flat angles P-C4'-P energy: -44.310 tors. eta vs tors. theta energy: -50.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -664.720009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.720009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.720009 (E_RNA) where: Base-Base interactions energy: -416.840 where: short stacking energy: -201.203 Base-Backbone interact. energy: -0.681 local terms energy: -247.199308 where: bonds (distance) C4'-P energy: -38.981 bonds (distance) P-C4' energy: -68.106 flat angles C4'-P-C4' energy: -51.374 flat angles P-C4'-P energy: -41.264 tors. eta vs tors. theta energy: -47.475 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: 101 Temperature: 1.250000 Total energy: -580.371882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.371882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.371882 (E_RNA) where: Base-Base interactions energy: -342.458 where: short stacking energy: -156.793 Base-Backbone interact. energy: -1.139 local terms energy: -236.774965 where: bonds (distance) C4'-P energy: -49.502 bonds (distance) P-C4' energy: -58.384 flat angles C4'-P-C4' energy: -50.212 flat angles P-C4'-P energy: -39.021 tors. eta vs tors. theta energy: -39.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -287.613180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.613180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.613180 (E_RNA) where: Base-Base interactions energy: -118.764 where: short stacking energy: -85.457 Base-Backbone interact. energy: 2.307 local terms energy: -171.156859 where: bonds (distance) C4'-P energy: -47.643 bonds (distance) P-C4' energy: -49.532 flat angles C4'-P-C4' energy: -45.205 flat angles P-C4'-P energy: -29.551 tors. eta vs tors. theta energy: 0.775 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: 10 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -360.229423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.229423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.229423 (E_RNA) where: Base-Base interactions energy: -178.936 where: short stacking energy: -121.968 Base-Backbone interact. energy: -1.362 local terms energy: -179.931409 where: bonds (distance) C4'-P energy: -63.929 bonds (distance) P-C4' energy: -53.162 flat angles C4'-P-C4' energy: -35.954 flat angles P-C4'-P energy: -27.231 tors. eta vs tors. theta energy: 0.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -1095.941837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.941837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.941837 (E_RNA) where: Base-Base interactions energy: -757.018 where: short stacking energy: -322.986 Base-Backbone interact. energy: -0.767 local terms energy: -338.156151 where: bonds (distance) C4'-P energy: -58.607 bonds (distance) P-C4' energy: -70.936 flat angles C4'-P-C4' energy: -72.039 flat angles P-C4'-P energy: -39.474 tors. eta vs tors. theta energy: -97.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -979.097147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.097147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.097147 (E_RNA) where: Base-Base interactions energy: -657.149 where: short stacking energy: -279.230 Base-Backbone interact. energy: -0.490 local terms energy: -321.458758 where: bonds (distance) C4'-P energy: -55.408 bonds (distance) P-C4' energy: -69.049 flat angles C4'-P-C4' energy: -58.822 flat angles P-C4'-P energy: -50.531 tors. eta vs tors. theta energy: -87.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -1042.532294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.532294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.532294 (E_RNA) where: Base-Base interactions energy: -703.436 where: short stacking energy: -299.033 Base-Backbone interact. energy: -1.816 local terms energy: -337.280051 where: bonds (distance) C4'-P energy: -55.073 bonds (distance) P-C4' energy: -67.953 flat angles C4'-P-C4' energy: -81.376 flat angles P-C4'-P energy: -42.678 tors. eta vs tors. theta energy: -90.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -997.667121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.667121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.667121 (E_RNA) where: Base-Base interactions energy: -682.433 where: short stacking energy: -280.072 Base-Backbone interact. energy: -0.413 local terms energy: -314.821202 where: bonds (distance) C4'-P energy: -64.409 bonds (distance) P-C4' energy: -65.614 flat angles C4'-P-C4' energy: -53.702 flat angles P-C4'-P energy: -42.927 tors. eta vs tors. theta energy: -88.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -873.502812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.502812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.502812 (E_RNA) where: Base-Base interactions energy: -605.456 where: short stacking energy: -258.725 Base-Backbone interact. energy: -1.447 local terms energy: -266.600260 where: bonds (distance) C4'-P energy: -49.961 bonds (distance) P-C4' energy: -49.069 flat angles C4'-P-C4' energy: -64.529 flat angles P-C4'-P energy: -33.842 tors. eta vs tors. theta energy: -69.200 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: 8 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -813.290629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.290629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.290629 (E_RNA) where: Base-Base interactions energy: -544.949 where: short stacking energy: -232.239 Base-Backbone interact. energy: -0.808 local terms energy: -267.534135 where: bonds (distance) C4'-P energy: -60.287 bonds (distance) P-C4' energy: -51.801 flat angles C4'-P-C4' energy: -55.049 flat angles P-C4'-P energy: -40.464 tors. eta vs tors. theta energy: -59.932 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: 6 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -664.596212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.596212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.596212 (E_RNA) where: Base-Base interactions energy: -427.315 where: short stacking energy: -197.731 Base-Backbone interact. energy: -1.663 local terms energy: -235.617936 where: bonds (distance) C4'-P energy: -57.824 bonds (distance) P-C4' energy: -48.301 flat angles C4'-P-C4' energy: -57.621 flat angles P-C4'-P energy: -35.842 tors. eta vs tors. theta energy: -36.029 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: 102 Temperature: 1.250000 Total energy: -614.499530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.499530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.499530 (E_RNA) where: Base-Base interactions energy: -382.644 where: short stacking energy: -177.113 Base-Backbone interact. energy: -1.052 local terms energy: -230.803513 where: bonds (distance) C4'-P energy: -60.599 bonds (distance) P-C4' energy: -43.286 flat angles C4'-P-C4' energy: -59.690 flat angles P-C4'-P energy: -28.929 tors. eta vs tors. theta energy: -38.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -372.149532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.149532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.149532 (E_RNA) where: Base-Base interactions energy: -161.745 where: short stacking energy: -94.709 Base-Backbone interact. energy: 0.915 local terms energy: -211.319001 where: bonds (distance) C4'-P energy: -55.336 bonds (distance) P-C4' energy: -54.520 flat angles C4'-P-C4' energy: -50.044 flat angles P-C4'-P energy: -36.771 tors. eta vs tors. theta energy: -14.648 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: 4 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -263.737053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.737053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.737053 (E_RNA) where: Base-Base interactions energy: -113.052 where: short stacking energy: -81.914 Base-Backbone interact. energy: 0.535 local terms energy: -151.219368 where: bonds (distance) C4'-P energy: -47.882 bonds (distance) P-C4' energy: -47.092 flat angles C4'-P-C4' energy: -33.051 flat angles P-C4'-P energy: -30.849 tors. eta vs tors. theta energy: 7.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -1101.589960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.589960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.589960 (E_RNA) where: Base-Base interactions energy: -759.911 where: short stacking energy: -321.864 Base-Backbone interact. energy: -1.350 local terms energy: -340.329215 where: bonds (distance) C4'-P energy: -60.153 bonds (distance) P-C4' energy: -59.693 flat angles C4'-P-C4' energy: -71.417 flat angles P-C4'-P energy: -55.046 tors. eta vs tors. theta energy: -94.019 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: 3 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -1052.849871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.849871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.849871 (E_RNA) where: Base-Base interactions energy: -697.379 where: short stacking energy: -315.742 Base-Backbone interact. energy: -1.994 local terms energy: -353.477384 where: bonds (distance) C4'-P energy: -70.328 bonds (distance) P-C4' energy: -65.509 flat angles C4'-P-C4' energy: -70.180 flat angles P-C4'-P energy: -45.810 tors. eta vs tors. theta energy: -101.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -949.565835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.565835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.565835 (E_RNA) where: Base-Base interactions energy: -661.558 where: short stacking energy: -289.081 Base-Backbone interact. energy: 0.028 local terms energy: -288.035963 where: bonds (distance) C4'-P energy: -51.861 bonds (distance) P-C4' energy: -59.533 flat angles C4'-P-C4' energy: -60.891 flat angles P-C4'-P energy: -50.224 tors. eta vs tors. theta energy: -65.526 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: 2 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -962.708332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.708332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.708332 (E_RNA) where: Base-Base interactions energy: -658.722 where: short stacking energy: -298.030 Base-Backbone interact. energy: -0.897 local terms energy: -303.089096 where: bonds (distance) C4'-P energy: -55.820 bonds (distance) P-C4' energy: -53.510 flat angles C4'-P-C4' energy: -62.623 flat angles P-C4'-P energy: -44.857 tors. eta vs tors. theta energy: -86.280 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: 5 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -850.013338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.013338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.013338 (E_RNA) where: Base-Base interactions energy: -584.641 where: short stacking energy: -262.253 Base-Backbone interact. energy: -1.000 local terms energy: -264.371969 where: bonds (distance) C4'-P energy: -52.819 bonds (distance) P-C4' energy: -47.324 flat angles C4'-P-C4' energy: -65.062 flat angles P-C4'-P energy: -41.825 tors. eta vs tors. theta energy: -57.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -786.435778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.435778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.435778 (E_RNA) where: Base-Base interactions energy: -525.834 where: short stacking energy: -244.828 Base-Backbone interact. energy: 0.114 local terms energy: -260.715817 where: bonds (distance) C4'-P energy: -45.763 bonds (distance) P-C4' energy: -55.732 flat angles C4'-P-C4' energy: -61.476 flat angles P-C4'-P energy: -39.073 tors. eta vs tors. theta energy: -58.671 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: 7, replica: 6 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -606.191813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.191813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.191813 (E_RNA) where: Base-Base interactions energy: -360.461 where: short stacking energy: -171.056 Base-Backbone interact. energy: 2.812 local terms energy: -248.541916 where: bonds (distance) C4'-P energy: -52.600 bonds (distance) P-C4' energy: -63.227 flat angles C4'-P-C4' energy: -52.476 flat angles P-C4'-P energy: -35.174 tors. eta vs tors. theta energy: -45.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -628.945001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.945001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.945001 (E_RNA) where: Base-Base interactions energy: -400.253 where: short stacking energy: -177.270 Base-Backbone interact. energy: -2.656 local terms energy: -226.035523 where: bonds (distance) C4'-P energy: -38.469 bonds (distance) P-C4' energy: -52.156 flat angles C4'-P-C4' energy: -48.022 flat angles P-C4'-P energy: -42.925 tors. eta vs tors. theta energy: -44.463 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: 9, replica: 10 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -338.847360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.847360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.847360 (E_RNA) where: Base-Base interactions energy: -141.330 where: short stacking energy: -91.798 Base-Backbone interact. energy: 1.435 local terms energy: -198.951724 where: bonds (distance) C4'-P energy: -57.018 bonds (distance) P-C4' energy: -55.680 flat angles C4'-P-C4' energy: -46.421 flat angles P-C4'-P energy: -31.957 tors. eta vs tors. theta energy: -7.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -273.021187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.021187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.021187 (E_RNA) where: Base-Base interactions energy: -98.827 where: short stacking energy: -68.651 Base-Backbone interact. energy: 0.749 local terms energy: -174.942965 where: bonds (distance) C4'-P energy: -48.973 bonds (distance) P-C4' energy: -60.881 flat angles C4'-P-C4' energy: -39.316 flat angles P-C4'-P energy: -31.327 tors. eta vs tors. theta energy: 5.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -1094.877762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.877762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.877762 (E_RNA) where: Base-Base interactions energy: -751.586 where: short stacking energy: -325.612 Base-Backbone interact. energy: -2.446 local terms energy: -340.845783 where: bonds (distance) C4'-P energy: -67.871 bonds (distance) P-C4' energy: -54.256 flat angles C4'-P-C4' energy: -72.248 flat angles P-C4'-P energy: -50.437 tors. eta vs tors. theta energy: -96.033 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: 104 Temperature: 0.950000 Total energy: -1025.403745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.403745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.403745 (E_RNA) where: Base-Base interactions energy: -689.953 where: short stacking energy: -294.746 Base-Backbone interact. energy: 0.730 local terms energy: -336.181418 where: bonds (distance) C4'-P energy: -58.232 bonds (distance) P-C4' energy: -64.182 flat angles C4'-P-C4' energy: -74.728 flat angles P-C4'-P energy: -49.920 tors. eta vs tors. theta energy: -89.121 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: 2 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -968.053637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.053637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.053637 (E_RNA) where: Base-Base interactions energy: -659.767 where: short stacking energy: -278.773 Base-Backbone interact. energy: -2.638 local terms energy: -305.648985 where: bonds (distance) C4'-P energy: -56.819 bonds (distance) P-C4' energy: -62.543 flat angles C4'-P-C4' energy: -64.364 flat angles P-C4'-P energy: -44.348 tors. eta vs tors. theta energy: -77.576 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: 7 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -918.207406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.207406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.207406 (E_RNA) where: Base-Base interactions energy: -622.597 where: short stacking energy: -272.321 Base-Backbone interact. energy: -1.545 local terms energy: -294.065636 where: bonds (distance) C4'-P energy: -60.597 bonds (distance) P-C4' energy: -54.386 flat angles C4'-P-C4' energy: -67.606 flat angles P-C4'-P energy: -38.749 tors. eta vs tors. theta energy: -72.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -873.753241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.753241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.753241 (E_RNA) where: Base-Base interactions energy: -597.510 where: short stacking energy: -249.242 Base-Backbone interact. energy: -0.106 local terms energy: -276.137137 where: bonds (distance) C4'-P energy: -54.034 bonds (distance) P-C4' energy: -57.547 flat angles C4'-P-C4' energy: -62.077 flat angles P-C4'-P energy: -40.412 tors. eta vs tors. theta energy: -62.066 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: 8 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -803.326971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.326971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.326971 (E_RNA) where: Base-Base interactions energy: -552.967 where: short stacking energy: -239.764 Base-Backbone interact. energy: -0.924 local terms energy: -249.436071 where: bonds (distance) C4'-P energy: -47.692 bonds (distance) P-C4' energy: -59.841 flat angles C4'-P-C4' energy: -46.445 flat angles P-C4'-P energy: -40.447 tors. eta vs tors. theta energy: -55.012 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: 1 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -642.100179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.100179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.100179 (E_RNA) where: Base-Base interactions energy: -405.089 where: short stacking energy: -179.445 Base-Backbone interact. energy: -1.270 local terms energy: -235.741777 where: bonds (distance) C4'-P energy: -42.810 bonds (distance) P-C4' energy: -56.802 flat angles C4'-P-C4' energy: -59.119 flat angles P-C4'-P energy: -35.303 tors. eta vs tors. theta energy: -41.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -577.585042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.585042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.585042 (E_RNA) where: Base-Base interactions energy: -378.415 where: short stacking energy: -152.450 Base-Backbone interact. energy: 2.843 local terms energy: -202.012504 where: bonds (distance) C4'-P energy: -57.449 bonds (distance) P-C4' energy: -48.779 flat angles C4'-P-C4' energy: -45.222 flat angles P-C4'-P energy: -34.544 tors. eta vs tors. theta energy: -16.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -339.394936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.394936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.394936 (E_RNA) where: Base-Base interactions energy: -160.982 where: short stacking energy: -99.011 Base-Backbone interact. energy: -0.197 local terms energy: -178.215472 where: bonds (distance) C4'-P energy: -57.563 bonds (distance) P-C4' energy: -56.466 flat angles C4'-P-C4' energy: -59.684 flat angles P-C4'-P energy: -8.273 tors. eta vs tors. theta energy: 3.770 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: 4 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -263.047256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.047256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.047256 (E_RNA) where: Base-Base interactions energy: -89.635 where: short stacking energy: -79.160 Base-Backbone interact. energy: 0.817 local terms energy: -174.229395 where: bonds (distance) C4'-P energy: -54.119 bonds (distance) P-C4' energy: -59.609 flat angles C4'-P-C4' energy: -45.068 flat angles P-C4'-P energy: -31.108 tors. eta vs tors. theta energy: 15.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -1095.023580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.023580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.023580 (E_RNA) where: Base-Base interactions energy: -773.076 where: short stacking energy: -311.392 Base-Backbone interact. energy: 0.823 local terms energy: -322.770259 where: bonds (distance) C4'-P energy: -64.385 bonds (distance) P-C4' energy: -50.920 flat angles C4'-P-C4' energy: -70.347 flat angles P-C4'-P energy: -42.300 tors. eta vs tors. theta energy: -94.819 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: 2, replica: 3 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -1055.692145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.692145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.692145 (E_RNA) where: Base-Base interactions energy: -706.219 where: short stacking energy: -314.210 Base-Backbone interact. energy: -0.391 local terms energy: -349.081977 where: bonds (distance) C4'-P energy: -64.001 bonds (distance) P-C4' energy: -63.514 flat angles C4'-P-C4' energy: -72.639 flat angles P-C4'-P energy: -50.646 tors. eta vs tors. theta energy: -98.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -989.569393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.569393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.569393 (E_RNA) where: Base-Base interactions energy: -668.034 where: short stacking energy: -290.206 Base-Backbone interact. energy: 1.400 local terms energy: -322.935356 where: bonds (distance) C4'-P energy: -63.115 bonds (distance) P-C4' energy: -69.048 flat angles C4'-P-C4' energy: -64.138 flat angles P-C4'-P energy: -47.182 tors. eta vs tors. theta energy: -79.452 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: 7 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -947.671394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.671394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.671394 (E_RNA) where: Base-Base interactions energy: -634.273 where: short stacking energy: -262.528 Base-Backbone interact. energy: -1.235 local terms energy: -312.163123 where: bonds (distance) C4'-P energy: -55.622 bonds (distance) P-C4' energy: -63.429 flat angles C4'-P-C4' energy: -67.627 flat angles P-C4'-P energy: -45.546 tors. eta vs tors. theta energy: -79.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -861.058905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.058905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.058905 (E_RNA) where: Base-Base interactions energy: -589.622 where: short stacking energy: -237.537 Base-Backbone interact. energy: 4.478 local terms energy: -275.914590 where: bonds (distance) C4'-P energy: -62.247 bonds (distance) P-C4' energy: -51.787 flat angles C4'-P-C4' energy: -51.226 flat angles P-C4'-P energy: -46.973 tors. eta vs tors. theta energy: -63.681 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: 6, replica: 8 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -831.929817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.929817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.929817 (E_RNA) where: Base-Base interactions energy: -556.207 where: short stacking energy: -259.104 Base-Backbone interact. energy: -1.964 local terms energy: -273.758859 where: bonds (distance) C4'-P energy: -57.853 bonds (distance) P-C4' energy: -56.638 flat angles C4'-P-C4' energy: -53.719 flat angles P-C4'-P energy: -43.090 tors. eta vs tors. theta energy: -62.458 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: 1 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -664.367044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.367044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.367044 (E_RNA) where: Base-Base interactions energy: -430.141 where: short stacking energy: -174.207 Base-Backbone interact. energy: 0.038 local terms energy: -234.263475 where: bonds (distance) C4'-P energy: -48.734 bonds (distance) P-C4' energy: -57.871 flat angles C4'-P-C4' energy: -56.732 flat angles P-C4'-P energy: -37.506 tors. eta vs tors. theta energy: -33.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -547.670848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.670848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.670848 (E_RNA) where: Base-Base interactions energy: -317.280 where: short stacking energy: -149.936 Base-Backbone interact. energy: -0.735 local terms energy: -229.656407 where: bonds (distance) C4'-P energy: -54.545 bonds (distance) P-C4' energy: -52.444 flat angles C4'-P-C4' energy: -49.789 flat angles P-C4'-P energy: -39.148 tors. eta vs tors. theta energy: -33.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -335.403122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.403122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.403122 (E_RNA) where: Base-Base interactions energy: -133.443 where: short stacking energy: -84.138 Base-Backbone interact. energy: 0.254 local terms energy: -202.214094 where: bonds (distance) C4'-P energy: -58.445 bonds (distance) P-C4' energy: -64.773 flat angles C4'-P-C4' energy: -51.891 flat angles P-C4'-P energy: -30.782 tors. eta vs tors. theta energy: 3.676 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: 4 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -273.783766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.783766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.783766 (E_RNA) where: Base-Base interactions energy: -95.752 where: short stacking energy: -71.954 Base-Backbone interact. energy: -0.938 local terms energy: -177.093132 where: bonds (distance) C4'-P energy: -57.209 bonds (distance) P-C4' energy: -57.651 flat angles C4'-P-C4' energy: -29.534 flat angles P-C4'-P energy: -36.341 tors. eta vs tors. theta energy: 3.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -1078.438302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.438302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.438302 (E_RNA) where: Base-Base interactions energy: -729.502 where: short stacking energy: -304.730 Base-Backbone interact. energy: -1.520 local terms energy: -347.416339 where: bonds (distance) C4'-P energy: -65.552 bonds (distance) P-C4' energy: -70.171 flat angles C4'-P-C4' energy: -70.967 flat angles P-C4'-P energy: -52.025 tors. eta vs tors. theta energy: -88.703 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: 2, replica: 3 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -1058.614357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.614357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.614357 (E_RNA) where: Base-Base interactions energy: -698.842 where: short stacking energy: -311.057 Base-Backbone interact. energy: -2.008 local terms energy: -357.763509 where: bonds (distance) C4'-P energy: -62.655 bonds (distance) P-C4' energy: -67.706 flat angles C4'-P-C4' energy: -74.723 flat angles P-C4'-P energy: -49.663 tors. eta vs tors. theta energy: -103.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -989.348026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.348026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.348026 (E_RNA) where: Base-Base interactions energy: -674.991 where: short stacking energy: -279.659 Base-Backbone interact. energy: -0.514 local terms energy: -313.843037 where: bonds (distance) C4'-P energy: -59.272 bonds (distance) P-C4' energy: -55.548 flat angles C4'-P-C4' energy: -70.462 flat angles P-C4'-P energy: -46.083 tors. eta vs tors. theta energy: -82.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -933.294963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.294963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.294963 (E_RNA) where: Base-Base interactions energy: -622.787 where: short stacking energy: -265.721 Base-Backbone interact. energy: -2.651 local terms energy: -307.857714 where: bonds (distance) C4'-P energy: -52.040 bonds (distance) P-C4' energy: -62.822 flat angles C4'-P-C4' energy: -68.593 flat angles P-C4'-P energy: -44.383 tors. eta vs tors. theta energy: -80.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -905.399778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.399778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.399778 (E_RNA) where: Base-Base interactions energy: -629.467 where: short stacking energy: -272.945 Base-Backbone interact. energy: -0.549 local terms energy: -275.384368 where: bonds (distance) C4'-P energy: -52.469 bonds (distance) P-C4' energy: -46.128 flat angles C4'-P-C4' energy: -67.204 flat angles P-C4'-P energy: -39.862 tors. eta vs tors. theta energy: -69.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -774.633887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.633887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.633887 (E_RNA) where: Base-Base interactions energy: -511.066 where: short stacking energy: -217.025 Base-Backbone interact. energy: -0.666 local terms energy: -262.901805 where: bonds (distance) C4'-P energy: -54.536 bonds (distance) P-C4' energy: -65.403 flat angles C4'-P-C4' energy: -55.867 flat angles P-C4'-P energy: -35.351 tors. eta vs tors. theta energy: -51.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -627.717775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.717775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.717775 (E_RNA) where: Base-Base interactions energy: -408.602 where: short stacking energy: -184.959 Base-Backbone interact. energy: -1.045 local terms energy: -218.070662 where: bonds (distance) C4'-P energy: -55.857 bonds (distance) P-C4' energy: -53.498 flat angles C4'-P-C4' energy: -49.291 flat angles P-C4'-P energy: -31.041 tors. eta vs tors. theta energy: -28.384 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: 6 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -531.522287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.522287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.522287 (E_RNA) where: Base-Base interactions energy: -313.866 where: short stacking energy: -158.327 Base-Backbone interact. energy: 4.122 local terms energy: -221.779147 where: bonds (distance) C4'-P energy: -54.018 bonds (distance) P-C4' energy: -71.156 flat angles C4'-P-C4' energy: -50.745 flat angles P-C4'-P energy: -21.718 tors. eta vs tors. theta energy: -24.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -298.125858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.125858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.125858 (E_RNA) where: Base-Base interactions energy: -110.764 where: short stacking energy: -84.629 Base-Backbone interact. energy: 3.602 local terms energy: -190.964450 where: bonds (distance) C4'-P energy: -54.235 bonds (distance) P-C4' energy: -56.757 flat angles C4'-P-C4' energy: -48.408 flat angles P-C4'-P energy: -29.989 tors. eta vs tors. theta energy: -1.576 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: 106 Temperature: 1.350000 Total energy: -331.740643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.740643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.740643 (E_RNA) where: Base-Base interactions energy: -150.676 where: short stacking energy: -92.145 Base-Backbone interact. energy: 0.775 local terms energy: -181.839700 where: bonds (distance) C4'-P energy: -58.757 bonds (distance) P-C4' energy: -53.296 flat angles C4'-P-C4' energy: -48.598 flat angles P-C4'-P energy: -24.832 tors. eta vs tors. theta energy: 3.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -1095.368502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.368502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.368502 (E_RNA) where: Base-Base interactions energy: -751.196 where: short stacking energy: -318.244 Base-Backbone interact. energy: -3.302 local terms energy: -340.870566 where: bonds (distance) C4'-P energy: -69.149 bonds (distance) P-C4' energy: -58.105 flat angles C4'-P-C4' energy: -69.396 flat angles P-C4'-P energy: -49.052 tors. eta vs tors. theta energy: -95.169 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: 107 Temperature: 0.950000 Total energy: -1050.836707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.836707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.836707 (E_RNA) where: Base-Base interactions energy: -708.552 where: short stacking energy: -328.394 Base-Backbone interact. energy: 0.595 local terms energy: -342.879696 where: bonds (distance) C4'-P energy: -60.624 bonds (distance) P-C4' energy: -64.880 flat angles C4'-P-C4' energy: -69.142 flat angles P-C4'-P energy: -52.318 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: 3, replica: 2 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -977.788877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.788877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.788877 (E_RNA) where: Base-Base interactions energy: -673.155 where: short stacking energy: -285.411 Base-Backbone interact. energy: 2.697 local terms energy: -307.331041 where: bonds (distance) C4'-P energy: -54.363 bonds (distance) P-C4' energy: -60.520 flat angles C4'-P-C4' energy: -69.729 flat angles P-C4'-P energy: -39.088 tors. eta vs tors. theta energy: -83.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -936.851504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.851504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.851504 (E_RNA) where: Base-Base interactions energy: -630.602 where: short stacking energy: -266.381 Base-Backbone interact. energy: -3.218 local terms energy: -303.031220 where: bonds (distance) C4'-P energy: -58.552 bonds (distance) P-C4' energy: -68.382 flat angles C4'-P-C4' energy: -62.297 flat angles P-C4'-P energy: -39.952 tors. eta vs tors. theta energy: -73.847 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: 5 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -864.643203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.643203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.643203 (E_RNA) where: Base-Base interactions energy: -594.992 where: short stacking energy: -239.285 Base-Backbone interact. energy: 0.002 local terms energy: -269.652897 where: bonds (distance) C4'-P energy: -60.846 bonds (distance) P-C4' energy: -50.755 flat angles C4'-P-C4' energy: -62.531 flat angles P-C4'-P energy: -42.601 tors. eta vs tors. theta energy: -52.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -720.788097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.788097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.788097 (E_RNA) where: Base-Base interactions energy: -468.170 where: short stacking energy: -205.896 Base-Backbone interact. energy: 0.260 local terms energy: -252.877381 where: bonds (distance) C4'-P energy: -65.259 bonds (distance) P-C4' energy: -50.920 flat angles C4'-P-C4' energy: -54.703 flat angles P-C4'-P energy: -40.436 tors. eta vs tors. theta energy: -41.559 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: 7, replica: 1 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -649.395158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.395158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.395158 (E_RNA) where: Base-Base interactions energy: -414.120 where: short stacking energy: -187.909 Base-Backbone interact. energy: -0.948 local terms energy: -234.327346 where: bonds (distance) C4'-P energy: -47.230 bonds (distance) P-C4' energy: -57.285 flat angles C4'-P-C4' energy: -58.026 flat angles P-C4'-P energy: -30.977 tors. eta vs tors. theta energy: -40.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -537.548534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.548534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.548534 (E_RNA) where: Base-Base interactions energy: -318.954 where: short stacking energy: -175.100 Base-Backbone interact. energy: 1.319 local terms energy: -219.914309 where: bonds (distance) C4'-P energy: -56.134 bonds (distance) P-C4' energy: -64.350 flat angles C4'-P-C4' energy: -45.661 flat angles P-C4'-P energy: -27.181 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: 9, replica: 4 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -281.068122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.068122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.068122 (E_RNA) where: Base-Base interactions energy: -107.083 where: short stacking energy: -70.709 Base-Backbone interact. energy: 3.891 local terms energy: -177.875962 where: bonds (distance) C4'-P energy: -50.574 bonds (distance) P-C4' energy: -47.833 flat angles C4'-P-C4' energy: -39.259 flat angles P-C4'-P energy: -40.171 tors. eta vs tors. theta energy: -0.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -360.527683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.527683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.527683 (E_RNA) where: Base-Base interactions energy: -178.568 where: short stacking energy: -112.403 Base-Backbone interact. energy: 0.015 local terms energy: -181.975139 where: bonds (distance) C4'-P energy: -38.876 bonds (distance) P-C4' energy: -61.664 flat angles C4'-P-C4' energy: -43.655 flat angles P-C4'-P energy: -31.233 tors. eta vs tors. theta energy: -6.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -1080.276021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.276021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.276021 (E_RNA) where: Base-Base interactions energy: -750.939 where: short stacking energy: -313.511 Base-Backbone interact. energy: -0.647 local terms energy: -328.690580 where: bonds (distance) C4'-P energy: -72.558 bonds (distance) P-C4' energy: -59.240 flat angles C4'-P-C4' energy: -64.104 flat angles P-C4'-P energy: -47.786 tors. eta vs tors. theta energy: -85.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -1072.440039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.440039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.440039 (E_RNA) where: Base-Base interactions energy: -718.793 where: short stacking energy: -341.216 Base-Backbone interact. energy: -0.583 local terms energy: -353.063668 where: bonds (distance) C4'-P energy: -62.346 bonds (distance) P-C4' energy: -55.530 flat angles C4'-P-C4' energy: -76.164 flat angles P-C4'-P energy: -48.064 tors. eta vs tors. theta energy: -110.960 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: 2 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -964.883994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.883994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.883994 (E_RNA) where: Base-Base interactions energy: -644.946 where: short stacking energy: -282.744 Base-Backbone interact. energy: -3.201 local terms energy: -316.736377 where: bonds (distance) C4'-P energy: -53.911 bonds (distance) P-C4' energy: -61.641 flat angles C4'-P-C4' energy: -63.405 flat angles P-C4'-P energy: -46.014 tors. eta vs tors. theta energy: -91.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -950.620247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.620247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.620247 (E_RNA) where: Base-Base interactions energy: -645.458 where: short stacking energy: -291.842 Base-Backbone interact. energy: 0.628 local terms energy: -305.789700 where: bonds (distance) C4'-P energy: -62.507 bonds (distance) P-C4' energy: -50.332 flat angles C4'-P-C4' energy: -68.695 flat angles P-C4'-P energy: -44.618 tors. eta vs tors. theta energy: -79.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -861.759830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.759830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.759830 (E_RNA) where: Base-Base interactions energy: -576.438 where: short stacking energy: -261.105 Base-Backbone interact. energy: -2.193 local terms energy: -283.129333 where: bonds (distance) C4'-P energy: -62.273 bonds (distance) P-C4' energy: -53.403 flat angles C4'-P-C4' energy: -61.634 flat angles P-C4'-P energy: -40.094 tors. eta vs tors. theta energy: -65.726 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: 8 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -687.876136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.876136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.876136 (E_RNA) where: Base-Base interactions energy: -416.662 where: short stacking energy: -199.119 Base-Backbone interact. energy: -0.369 local terms energy: -270.844638 where: bonds (distance) C4'-P energy: -61.468 bonds (distance) P-C4' energy: -54.435 flat angles C4'-P-C4' energy: -65.681 flat angles P-C4'-P energy: -39.762 tors. eta vs tors. theta energy: -49.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -665.766154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.766154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.766154 (E_RNA) where: Base-Base interactions energy: -416.758 where: short stacking energy: -178.266 Base-Backbone interact. energy: -0.924 local terms energy: -248.083521 where: bonds (distance) C4'-P energy: -69.054 bonds (distance) P-C4' energy: -47.963 flat angles C4'-P-C4' energy: -58.093 flat angles P-C4'-P energy: -33.270 tors. eta vs tors. theta energy: -39.704 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: 6 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -535.812904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.812904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.812904 (E_RNA) where: Base-Base interactions energy: -320.054 where: short stacking energy: -164.357 Base-Backbone interact. energy: -0.463 local terms energy: -215.295766 where: bonds (distance) C4'-P energy: -49.126 bonds (distance) P-C4' energy: -45.037 flat angles C4'-P-C4' energy: -50.405 flat angles P-C4'-P energy: -31.061 tors. eta vs tors. theta energy: -39.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -341.780862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.780862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.780862 (E_RNA) where: Base-Base interactions energy: -161.441 where: short stacking energy: -101.396 Base-Backbone interact. energy: 3.758 local terms energy: -184.097433 where: bonds (distance) C4'-P energy: -56.230 bonds (distance) P-C4' energy: -54.363 flat angles C4'-P-C4' energy: -42.030 flat angles P-C4'-P energy: -31.257 tors. eta vs tors. theta energy: -0.218 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: 4 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -254.715378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.715378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.715378 (E_RNA) where: Base-Base interactions energy: -79.052 where: short stacking energy: -67.027 Base-Backbone interact. energy: -2.084 local terms energy: -173.579123 where: bonds (distance) C4'-P energy: -45.105 bonds (distance) P-C4' energy: -65.256 flat angles C4'-P-C4' energy: -46.750 flat angles P-C4'-P energy: -32.888 tors. eta vs tors. theta energy: 16.420 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: 9 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -1071.992353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.992353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.992353 (E_RNA) where: Base-Base interactions energy: -733.625 where: short stacking energy: -312.806 Base-Backbone interact. energy: -1.614 local terms energy: -336.753062 where: bonds (distance) C4'-P energy: -65.830 bonds (distance) P-C4' energy: -69.876 flat angles C4'-P-C4' energy: -72.741 flat angles P-C4'-P energy: -40.975 tors. eta vs tors. theta energy: -87.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -1072.933513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.933513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.933513 (E_RNA) where: Base-Base interactions energy: -740.697 where: short stacking energy: -343.081 Base-Backbone interact. energy: -0.628 local terms energy: -331.608762 where: bonds (distance) C4'-P energy: -56.519 bonds (distance) P-C4' energy: -60.655 flat angles C4'-P-C4' energy: -71.937 flat angles P-C4'-P energy: -37.050 tors. eta vs tors. theta energy: -105.448 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: 109 Temperature: 1.000000 Total energy: -983.834870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.834870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.834870 (E_RNA) where: Base-Base interactions energy: -672.215 where: short stacking energy: -279.949 Base-Backbone interact. energy: -2.101 local terms energy: -309.518991 where: bonds (distance) C4'-P energy: -67.150 bonds (distance) P-C4' energy: -53.483 flat angles C4'-P-C4' energy: -61.217 flat angles P-C4'-P energy: -46.383 tors. eta vs tors. theta energy: -81.286 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: 7 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -938.464490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.464490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.464490 (E_RNA) where: Base-Base interactions energy: -646.087 where: short stacking energy: -271.711 Base-Backbone interact. energy: -2.022 local terms energy: -290.355216 where: bonds (distance) C4'-P energy: -59.919 bonds (distance) P-C4' energy: -43.833 flat angles C4'-P-C4' energy: -61.586 flat angles P-C4'-P energy: -41.943 tors. eta vs tors. theta energy: -83.074 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: 5 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -864.212964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.212964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.212964 (E_RNA) where: Base-Base interactions energy: -577.749 where: short stacking energy: -266.001 Base-Backbone interact. energy: 0.320 local terms energy: -286.783623 where: bonds (distance) C4'-P energy: -59.808 bonds (distance) P-C4' energy: -51.901 flat angles C4'-P-C4' energy: -61.799 flat angles P-C4'-P energy: -38.674 tors. eta vs tors. theta energy: -74.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -775.917400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.917400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.917400 (E_RNA) where: Base-Base interactions energy: -520.359 where: short stacking energy: -228.247 Base-Backbone interact. energy: -0.394 local terms energy: -255.164264 where: bonds (distance) C4'-P energy: -53.246 bonds (distance) P-C4' energy: -54.757 flat angles C4'-P-C4' energy: -52.328 flat angles P-C4'-P energy: -35.884 tors. eta vs tors. theta energy: -58.949 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: 8 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -652.455403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.455403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.455403 (E_RNA) where: Base-Base interactions energy: -410.251 where: short stacking energy: -197.514 Base-Backbone interact. energy: -1.845 local terms energy: -240.358964 where: bonds (distance) C4'-P energy: -50.489 bonds (distance) P-C4' energy: -57.403 flat angles C4'-P-C4' energy: -54.900 flat angles P-C4'-P energy: -38.359 tors. eta vs tors. theta energy: -39.209 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: 6 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -553.362364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.362364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.362364 (E_RNA) where: Base-Base interactions energy: -317.180 where: short stacking energy: -147.521 Base-Backbone interact. energy: -1.903 local terms energy: -234.280228 where: bonds (distance) C4'-P energy: -56.034 bonds (distance) P-C4' energy: -62.268 flat angles C4'-P-C4' energy: -63.314 flat angles P-C4'-P energy: -27.418 tors. eta vs tors. theta energy: -25.247 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: 10 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -341.724618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.724618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.724618 (E_RNA) where: Base-Base interactions energy: -122.840 where: short stacking energy: -84.801 Base-Backbone interact. energy: -2.298 local terms energy: -216.586261 where: bonds (distance) C4'-P energy: -50.088 bonds (distance) P-C4' energy: -71.586 flat angles C4'-P-C4' energy: -51.831 flat angles P-C4'-P energy: -30.953 tors. eta vs tors. theta energy: -12.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -266.696810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.696810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.696810 (E_RNA) where: Base-Base interactions energy: -105.565 where: short stacking energy: -78.635 Base-Backbone interact. energy: -0.229 local terms energy: -160.902187 where: bonds (distance) C4'-P energy: -50.982 bonds (distance) P-C4' energy: -60.597 flat angles C4'-P-C4' energy: -40.622 flat angles P-C4'-P energy: -14.084 tors. eta vs tors. theta energy: 5.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -1094.169760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.169760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.169760 (E_RNA) where: Base-Base interactions energy: -732.840 where: short stacking energy: -336.412 Base-Backbone interact. energy: -0.491 local terms energy: -360.839012 where: bonds (distance) C4'-P energy: -67.802 bonds (distance) P-C4' energy: -65.360 flat angles C4'-P-C4' energy: -75.937 flat angles P-C4'-P energy: -46.398 tors. eta vs tors. theta energy: -105.342 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: 9 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -1054.787293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.787293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.787293 (E_RNA) where: Base-Base interactions energy: -725.900 where: short stacking energy: -309.396 Base-Backbone interact. energy: -0.155 local terms energy: -328.732699 where: bonds (distance) C4'-P energy: -57.963 bonds (distance) P-C4' energy: -62.299 flat angles C4'-P-C4' energy: -74.811 flat angles P-C4'-P energy: -45.123 tors. eta vs tors. theta energy: -88.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -976.531473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.531473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.531473 (E_RNA) where: Base-Base interactions energy: -666.610 where: short stacking energy: -295.839 Base-Backbone interact. energy: -0.384 local terms energy: -309.538090 where: bonds (distance) C4'-P energy: -60.314 bonds (distance) P-C4' energy: -63.361 flat angles C4'-P-C4' energy: -55.878 flat angles P-C4'-P energy: -46.857 tors. eta vs tors. theta energy: -83.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -917.958449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.958449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.958449 (E_RNA) where: Base-Base interactions energy: -623.386 where: short stacking energy: -265.294 Base-Backbone interact. energy: -3.094 local terms energy: -291.478258 where: bonds (distance) C4'-P energy: -56.556 bonds (distance) P-C4' energy: -64.993 flat angles C4'-P-C4' energy: -58.343 flat angles P-C4'-P energy: -40.449 tors. eta vs tors. theta energy: -71.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -881.841614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.841614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.841614 (E_RNA) where: Base-Base interactions energy: -601.977 where: short stacking energy: -236.414 Base-Backbone interact. energy: -1.448 local terms energy: -278.416920 where: bonds (distance) C4'-P energy: -56.261 bonds (distance) P-C4' energy: -48.867 flat angles C4'-P-C4' energy: -59.840 flat angles P-C4'-P energy: -51.706 tors. eta vs tors. theta energy: -61.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -791.223562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.223562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.223562 (E_RNA) where: Base-Base interactions energy: -524.267 where: short stacking energy: -244.989 Base-Backbone interact. energy: -1.224 local terms energy: -265.732194 where: bonds (distance) C4'-P energy: -55.760 bonds (distance) P-C4' energy: -50.704 flat angles C4'-P-C4' energy: -61.857 flat angles P-C4'-P energy: -37.014 tors. eta vs tors. theta energy: -60.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -640.614330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.614330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.614330 (E_RNA) where: Base-Base interactions energy: -406.702 where: short stacking energy: -178.902 Base-Backbone interact. energy: -3.764 local terms energy: -230.148756 where: bonds (distance) C4'-P energy: -47.089 bonds (distance) P-C4' energy: -49.620 flat angles C4'-P-C4' energy: -55.377 flat angles P-C4'-P energy: -38.024 tors. eta vs tors. theta energy: -40.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -642.057819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.057819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.057819 (E_RNA) where: Base-Base interactions energy: -403.419 where: short stacking energy: -221.237 Base-Backbone interact. energy: 3.803 local terms energy: -242.442221 where: bonds (distance) C4'-P energy: -45.300 bonds (distance) P-C4' energy: -53.155 flat angles C4'-P-C4' energy: -53.858 flat angles P-C4'-P energy: -32.669 tors. eta vs tors. theta energy: -57.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -370.866156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.866156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.866156 (E_RNA) where: Base-Base interactions energy: -164.553 where: short stacking energy: -101.419 Base-Backbone interact. energy: -0.316 local terms energy: -205.997603 where: bonds (distance) C4'-P energy: -57.498 bonds (distance) P-C4' energy: -65.722 flat angles C4'-P-C4' energy: -49.472 flat angles P-C4'-P energy: -25.366 tors. eta vs tors. theta energy: -7.939 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: 4 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -259.323260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.323260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.323260 (E_RNA) where: Base-Base interactions energy: -111.096 where: short stacking energy: -88.283 Base-Backbone interact. energy: 0.922 local terms energy: -149.149265 where: bonds (distance) C4'-P energy: -53.209 bonds (distance) P-C4' energy: -54.102 flat angles C4'-P-C4' energy: -35.148 flat angles P-C4'-P energy: -19.230 tors. eta vs tors. theta energy: 12.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -1093.511888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.511888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.511888 (E_RNA) where: Base-Base interactions energy: -731.306 where: short stacking energy: -340.756 Base-Backbone interact. energy: -1.270 local terms energy: -360.936238 where: bonds (distance) C4'-P energy: -65.421 bonds (distance) P-C4' energy: -60.985 flat angles C4'-P-C4' energy: -73.737 flat angles P-C4'-P energy: -54.934 tors. eta vs tors. theta energy: -105.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -1055.970279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.970279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.970279 (E_RNA) where: Base-Base interactions energy: -761.690 where: short stacking energy: -309.836 Base-Backbone interact. energy: 5.650 local terms energy: -299.929584 where: bonds (distance) C4'-P energy: -66.271 bonds (distance) P-C4' energy: -56.501 flat angles C4'-P-C4' energy: -64.728 flat angles P-C4'-P energy: -25.945 tors. eta vs tors. theta energy: -86.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -962.560107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.560107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.560107 (E_RNA) where: Base-Base interactions energy: -660.561 where: short stacking energy: -295.240 Base-Backbone interact. energy: -1.119 local terms energy: -300.880344 where: bonds (distance) C4'-P energy: -56.362 bonds (distance) P-C4' energy: -58.591 flat angles C4'-P-C4' energy: -65.726 flat angles P-C4'-P energy: -34.172 tors. eta vs tors. theta energy: -86.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -931.577408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.577408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.577408 (E_RNA) where: Base-Base interactions energy: -627.298 where: short stacking energy: -260.308 Base-Backbone interact. energy: 0.013 local terms energy: -304.292803 where: bonds (distance) C4'-P energy: -70.605 bonds (distance) P-C4' energy: -57.138 flat angles C4'-P-C4' energy: -68.209 flat angles P-C4'-P energy: -36.930 tors. eta vs tors. theta energy: -71.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -860.564534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.564534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.564534 (E_RNA) where: Base-Base interactions energy: -595.866 where: short stacking energy: -241.044 Base-Backbone interact. energy: -0.985 local terms energy: -263.713477 where: bonds (distance) C4'-P energy: -54.908 bonds (distance) P-C4' energy: -41.979 flat angles C4'-P-C4' energy: -58.573 flat angles P-C4'-P energy: -41.621 tors. eta vs tors. theta energy: -66.632 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: 1 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -807.533589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.533589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.533589 (E_RNA) where: Base-Base interactions energy: -525.210 where: short stacking energy: -217.197 Base-Backbone interact. energy: -1.340 local terms energy: -280.984040 where: bonds (distance) C4'-P energy: -50.167 bonds (distance) P-C4' energy: -61.779 flat angles C4'-P-C4' energy: -67.017 flat angles P-C4'-P energy: -42.486 tors. eta vs tors. theta energy: -59.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -686.376128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.376128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.376128 (E_RNA) where: Base-Base interactions energy: -444.630 where: short stacking energy: -202.813 Base-Backbone interact. energy: -1.781 local terms energy: -239.965826 where: bonds (distance) C4'-P energy: -53.902 bonds (distance) P-C4' energy: -52.296 flat angles C4'-P-C4' energy: -59.692 flat angles P-C4'-P energy: -28.071 tors. eta vs tors. theta energy: -46.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -595.341683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.341683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.341683 (E_RNA) where: Base-Base interactions energy: -386.270 where: short stacking energy: -173.153 Base-Backbone interact. energy: -1.715 local terms energy: -207.357112 where: bonds (distance) C4'-P energy: -49.677 bonds (distance) P-C4' energy: -41.703 flat angles C4'-P-C4' energy: -57.366 flat angles P-C4'-P energy: -27.865 tors. eta vs tors. theta energy: -30.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -383.172136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.172136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.172136 (E_RNA) where: Base-Base interactions energy: -189.754 where: short stacking energy: -98.998 Base-Backbone interact. energy: -3.105 local terms energy: -190.313014 where: bonds (distance) C4'-P energy: -53.023 bonds (distance) P-C4' energy: -52.747 flat angles C4'-P-C4' energy: -53.712 flat angles P-C4'-P energy: -27.527 tors. eta vs tors. theta energy: -3.303 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: 4 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -284.742739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.742739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.742739 (E_RNA) where: Base-Base interactions energy: -120.828 where: short stacking energy: -83.937 Base-Backbone interact. energy: 1.008 local terms energy: -164.923270 where: bonds (distance) C4'-P energy: -47.624 bonds (distance) P-C4' energy: -58.584 flat angles C4'-P-C4' energy: -46.043 flat angles P-C4'-P energy: -28.919 tors. eta vs tors. theta energy: 16.248 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: 112 Temperature: 0.900000 Total energy: -1094.677655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.677655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.677655 (E_RNA) where: Base-Base interactions energy: -746.283 where: short stacking energy: -306.780 Base-Backbone interact. energy: -1.110 local terms energy: -347.284187 where: bonds (distance) C4'-P energy: -66.396 bonds (distance) P-C4' energy: -72.325 flat angles C4'-P-C4' energy: -68.785 flat angles P-C4'-P energy: -46.313 tors. eta vs tors. theta energy: -93.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -1083.107482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.107482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.107482 (E_RNA) where: Base-Base interactions energy: -727.771 where: short stacking energy: -333.815 Base-Backbone interact. energy: -0.602 local terms energy: -354.734676 where: bonds (distance) C4'-P energy: -57.373 bonds (distance) P-C4' energy: -63.746 flat angles C4'-P-C4' energy: -74.645 flat angles P-C4'-P energy: -54.609 tors. eta vs tors. theta energy: -104.362 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: 7 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -975.692025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.692025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.692025 (E_RNA) where: Base-Base interactions energy: -668.905 where: short stacking energy: -286.492 Base-Backbone interact. energy: -0.872 local terms energy: -305.914938 where: bonds (distance) C4'-P energy: -68.704 bonds (distance) P-C4' energy: -54.583 flat angles C4'-P-C4' energy: -64.290 flat angles P-C4'-P energy: -45.938 tors. eta vs tors. theta energy: -72.400 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: 112 Temperature: 1.050000 Total energy: -952.737711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.737711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.737711 (E_RNA) where: Base-Base interactions energy: -649.229 where: short stacking energy: -295.092 Base-Backbone interact. energy: 1.014 local terms energy: -304.523334 where: bonds (distance) C4'-P energy: -63.711 bonds (distance) P-C4' energy: -60.483 flat angles C4'-P-C4' energy: -63.620 flat angles P-C4'-P energy: -38.006 tors. eta vs tors. theta energy: -78.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -873.724703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.724703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.724703 (E_RNA) where: Base-Base interactions energy: -595.914 where: short stacking energy: -253.463 Base-Backbone interact. energy: 0.016 local terms energy: -277.826169 where: bonds (distance) C4'-P energy: -54.794 bonds (distance) P-C4' energy: -53.422 flat angles C4'-P-C4' energy: -62.381 flat angles P-C4'-P energy: -42.289 tors. eta vs tors. theta energy: -64.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -821.008423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.008423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.008423 (E_RNA) where: Base-Base interactions energy: -531.184 where: short stacking energy: -249.648 Base-Backbone interact. energy: -1.818 local terms energy: -288.006700 where: bonds (distance) C4'-P energy: -59.010 bonds (distance) P-C4' energy: -58.242 flat angles C4'-P-C4' energy: -59.508 flat angles P-C4'-P energy: -36.831 tors. eta vs tors. theta energy: -74.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -707.756405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.756405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.756405 (E_RNA) where: Base-Base interactions energy: -430.652 where: short stacking energy: -206.789 Base-Backbone interact. energy: -0.030 local terms energy: -277.073878 where: bonds (distance) C4'-P energy: -64.027 bonds (distance) P-C4' energy: -61.115 flat angles C4'-P-C4' energy: -66.961 flat angles P-C4'-P energy: -36.661 tors. eta vs tors. theta energy: -48.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -547.248877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.248877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.248877 (E_RNA) where: Base-Base interactions energy: -324.598 where: short stacking energy: -149.033 Base-Backbone interact. energy: -2.203 local terms energy: -220.448702 where: bonds (distance) C4'-P energy: -54.200 bonds (distance) P-C4' energy: -47.084 flat angles C4'-P-C4' energy: -56.018 flat angles P-C4'-P energy: -30.140 tors. eta vs tors. theta energy: -33.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -350.043447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.043447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.043447 (E_RNA) where: Base-Base interactions energy: -173.274 where: short stacking energy: -101.711 Base-Backbone interact. energy: 9.495 local terms energy: -186.264928 where: bonds (distance) C4'-P energy: -54.752 bonds (distance) P-C4' energy: -57.024 flat angles C4'-P-C4' energy: -26.603 flat angles P-C4'-P energy: -30.894 tors. eta vs tors. theta energy: -16.992 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: 112 Temperature: 1.350000 Total energy: -383.614289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.614289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.614289 (E_RNA) where: Base-Base interactions energy: -194.201 where: short stacking energy: -101.700 Base-Backbone interact. energy: -3.018 local terms energy: -186.395409 where: bonds (distance) C4'-P energy: -46.954 bonds (distance) P-C4' energy: -57.833 flat angles C4'-P-C4' energy: -55.255 flat angles P-C4'-P energy: -26.415 tors. eta vs tors. theta energy: 0.061 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: 9 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -1095.941525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.941525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.941525 (E_RNA) where: Base-Base interactions energy: -760.834 where: short stacking energy: -321.123 Base-Backbone interact. energy: -2.567 local terms energy: -332.540805 where: bonds (distance) C4'-P energy: -58.948 bonds (distance) P-C4' energy: -65.780 flat angles C4'-P-C4' energy: -68.574 flat angles P-C4'-P energy: -47.598 tors. eta vs tors. theta energy: -91.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -1074.105830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.105830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.105830 (E_RNA) where: Base-Base interactions energy: -729.725 where: short stacking energy: -326.140 Base-Backbone interact. energy: -0.418 local terms energy: -343.962519 where: bonds (distance) C4'-P energy: -56.921 bonds (distance) P-C4' energy: -60.419 flat angles C4'-P-C4' energy: -71.879 flat angles P-C4'-P energy: -49.527 tors. eta vs tors. theta energy: -105.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -984.200547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.200547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.200547 (E_RNA) where: Base-Base interactions energy: -653.972 where: short stacking energy: -278.252 Base-Backbone interact. energy: 1.404 local terms energy: -331.632595 where: bonds (distance) C4'-P energy: -66.444 bonds (distance) P-C4' energy: -61.346 flat angles C4'-P-C4' energy: -72.832 flat angles P-C4'-P energy: -47.710 tors. eta vs tors. theta energy: -83.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -957.488690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.488690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.488690 (E_RNA) where: Base-Base interactions energy: -643.533 where: short stacking energy: -299.753 Base-Backbone interact. energy: 0.344 local terms energy: -314.299305 where: bonds (distance) C4'-P energy: -59.564 bonds (distance) P-C4' energy: -54.348 flat angles C4'-P-C4' energy: -58.987 flat angles P-C4'-P energy: -57.020 tors. eta vs tors. theta energy: -84.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -845.450933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.450933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.450933 (E_RNA) where: Base-Base interactions energy: -575.176 where: short stacking energy: -254.990 Base-Backbone interact. energy: -2.317 local terms energy: -267.958519 where: bonds (distance) C4'-P energy: -61.561 bonds (distance) P-C4' energy: -48.968 flat angles C4'-P-C4' energy: -58.647 flat angles P-C4'-P energy: -32.105 tors. eta vs tors. theta energy: -66.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -806.220398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.220398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.220398 (E_RNA) where: Base-Base interactions energy: -534.461 where: short stacking energy: -246.632 Base-Backbone interact. energy: -1.183 local terms energy: -270.576271 where: bonds (distance) C4'-P energy: -57.372 bonds (distance) P-C4' energy: -47.870 flat angles C4'-P-C4' energy: -58.717 flat angles P-C4'-P energy: -36.177 tors. eta vs tors. theta energy: -70.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -692.304021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.304021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.304021 (E_RNA) where: Base-Base interactions energy: -442.847 where: short stacking energy: -206.254 Base-Backbone interact. energy: -0.807 local terms energy: -248.650090 where: bonds (distance) C4'-P energy: -49.637 bonds (distance) P-C4' energy: -56.218 flat angles C4'-P-C4' energy: -51.003 flat angles P-C4'-P energy: -43.787 tors. eta vs tors. theta energy: -48.004 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: 6 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -635.673933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.673933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.673933 (E_RNA) where: Base-Base interactions energy: -399.668 where: short stacking energy: -193.818 Base-Backbone interact. energy: -0.711 local terms energy: -235.294099 where: bonds (distance) C4'-P energy: -43.329 bonds (distance) P-C4' energy: -57.167 flat angles C4'-P-C4' energy: -46.603 flat angles P-C4'-P energy: -40.230 tors. eta vs tors. theta energy: -47.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -337.735662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.735662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.735662 (E_RNA) where: Base-Base interactions energy: -161.512 where: short stacking energy: -86.443 Base-Backbone interact. energy: -0.003 local terms energy: -176.220652 where: bonds (distance) C4'-P energy: -54.752 bonds (distance) P-C4' energy: -56.143 flat angles C4'-P-C4' energy: -42.658 flat angles P-C4'-P energy: -22.685 tors. eta vs tors. theta energy: 0.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -323.076732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.076732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.076732 (E_RNA) where: Base-Base interactions energy: -150.796 where: short stacking energy: -89.804 Base-Backbone interact. energy: -0.145 local terms energy: -172.135954 where: bonds (distance) C4'-P energy: -42.190 bonds (distance) P-C4' energy: -47.556 flat angles C4'-P-C4' energy: -46.663 flat angles P-C4'-P energy: -29.186 tors. eta vs tors. theta energy: -6.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -1102.889648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.889648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.889648 (E_RNA) where: Base-Base interactions energy: -764.216 where: short stacking energy: -325.228 Base-Backbone interact. energy: -2.168 local terms energy: -336.506292 where: bonds (distance) C4'-P energy: -70.904 bonds (distance) P-C4' energy: -58.408 flat angles C4'-P-C4' energy: -68.735 flat angles P-C4'-P energy: -43.274 tors. eta vs tors. theta energy: -95.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -1076.717004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.717004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.717004 (E_RNA) where: Base-Base interactions energy: -731.954 where: short stacking energy: -352.441 Base-Backbone interact. energy: -0.119 local terms energy: -344.644046 where: bonds (distance) C4'-P energy: -47.407 bonds (distance) P-C4' energy: -67.098 flat angles C4'-P-C4' energy: -67.965 flat angles P-C4'-P energy: -56.044 tors. eta vs tors. theta energy: -106.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -959.948669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.948669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.948669 (E_RNA) where: Base-Base interactions energy: -664.396 where: short stacking energy: -286.961 Base-Backbone interact. energy: -3.101 local terms energy: -292.451847 where: bonds (distance) C4'-P energy: -40.452 bonds (distance) P-C4' energy: -61.410 flat angles C4'-P-C4' energy: -57.936 flat angles P-C4'-P energy: -44.268 tors. eta vs tors. theta energy: -88.385 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: 2 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -935.106527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.106527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.106527 (E_RNA) where: Base-Base interactions energy: -638.733 where: short stacking energy: -292.159 Base-Backbone interact. energy: 2.040 local terms energy: -298.414041 where: bonds (distance) C4'-P energy: -57.245 bonds (distance) P-C4' energy: -55.238 flat angles C4'-P-C4' energy: -63.512 flat angles P-C4'-P energy: -42.128 tors. eta vs tors. theta energy: -80.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -874.733081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.733081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.733081 (E_RNA) where: Base-Base interactions energy: -588.011 where: short stacking energy: -270.479 Base-Backbone interact. energy: -1.184 local terms energy: -285.538282 where: bonds (distance) C4'-P energy: -48.294 bonds (distance) P-C4' energy: -53.625 flat angles C4'-P-C4' energy: -63.693 flat angles P-C4'-P energy: -43.997 tors. eta vs tors. theta energy: -75.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -796.805666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.805666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.805666 (E_RNA) where: Base-Base interactions energy: -531.560 where: short stacking energy: -242.352 Base-Backbone interact. energy: -0.744 local terms energy: -264.502077 where: bonds (distance) C4'-P energy: -48.115 bonds (distance) P-C4' energy: -57.155 flat angles C4'-P-C4' energy: -64.496 flat angles P-C4'-P energy: -32.332 tors. eta vs tors. theta energy: -62.404 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: 6 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -730.265544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.265544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.265544 (E_RNA) where: Base-Base interactions energy: -484.687 where: short stacking energy: -203.056 Base-Backbone interact. energy: 3.497 local terms energy: -249.076041 where: bonds (distance) C4'-P energy: -55.492 bonds (distance) P-C4' energy: -50.767 flat angles C4'-P-C4' energy: -53.701 flat angles P-C4'-P energy: -42.290 tors. eta vs tors. theta energy: -46.826 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: 8 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -669.306260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.306260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.306260 (E_RNA) where: Base-Base interactions energy: -426.994 where: short stacking energy: -190.632 Base-Backbone interact. energy: -0.152 local terms energy: -242.160018 where: bonds (distance) C4'-P energy: -55.263 bonds (distance) P-C4' energy: -59.218 flat angles C4'-P-C4' energy: -60.712 flat angles P-C4'-P energy: -34.185 tors. eta vs tors. theta energy: -32.783 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: 9, replica: 10 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -346.405708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.405708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.405708 (E_RNA) where: Base-Base interactions energy: -164.653 where: short stacking energy: -103.441 Base-Backbone interact. energy: -0.398 local terms energy: -181.354732 where: bonds (distance) C4'-P energy: -52.646 bonds (distance) P-C4' energy: -53.137 flat angles C4'-P-C4' energy: -44.158 flat angles P-C4'-P energy: -33.065 tors. eta vs tors. theta energy: 1.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -283.452866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.452866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.452866 (E_RNA) where: Base-Base interactions energy: -98.698 where: short stacking energy: -80.049 Base-Backbone interact. energy: -2.044 local terms energy: -182.711591 where: bonds (distance) C4'-P energy: -57.180 bonds (distance) P-C4' energy: -54.950 flat angles C4'-P-C4' energy: -42.740 flat angles P-C4'-P energy: -29.068 tors. eta vs tors. theta energy: 1.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -1088.766691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.766691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.766691 (E_RNA) where: Base-Base interactions energy: -748.568 where: short stacking energy: -317.514 Base-Backbone interact. energy: -1.995 local terms energy: -338.203316 where: bonds (distance) C4'-P energy: -67.967 bonds (distance) P-C4' energy: -67.232 flat angles C4'-P-C4' energy: -70.402 flat angles P-C4'-P energy: -42.226 tors. eta vs tors. theta energy: -90.376 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: 3 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -1083.846181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.846181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.846181 (E_RNA) where: Base-Base interactions energy: -732.191 where: short stacking energy: -331.305 Base-Backbone interact. energy: -1.371 local terms energy: -350.284218 where: bonds (distance) C4'-P energy: -67.236 bonds (distance) P-C4' energy: -63.467 flat angles C4'-P-C4' energy: -66.593 flat angles P-C4'-P energy: -48.452 tors. eta vs tors. theta energy: -104.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -981.502448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.502448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.502448 (E_RNA) where: Base-Base interactions energy: -665.797 where: short stacking energy: -284.038 Base-Backbone interact. energy: -0.041 local terms energy: -315.663985 where: bonds (distance) C4'-P energy: -58.447 bonds (distance) P-C4' energy: -61.559 flat angles C4'-P-C4' energy: -65.679 flat angles P-C4'-P energy: -51.170 tors. eta vs tors. theta energy: -78.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -941.941171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.941171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.941171 (E_RNA) where: Base-Base interactions energy: -635.173 where: short stacking energy: -293.962 Base-Backbone interact. energy: -0.195 local terms energy: -306.573847 where: bonds (distance) C4'-P energy: -60.286 bonds (distance) P-C4' energy: -53.151 flat angles C4'-P-C4' energy: -58.305 flat angles P-C4'-P energy: -43.469 tors. eta vs tors. theta energy: -91.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -879.660669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.660669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.660669 (E_RNA) where: Base-Base interactions energy: -584.023 where: short stacking energy: -250.629 Base-Backbone interact. energy: 4.140 local terms energy: -299.778061 where: bonds (distance) C4'-P energy: -56.964 bonds (distance) P-C4' energy: -55.188 flat angles C4'-P-C4' energy: -64.082 flat angles P-C4'-P energy: -46.981 tors. eta vs tors. theta energy: -76.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -796.439918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.439918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.439918 (E_RNA) where: Base-Base interactions energy: -528.407 where: short stacking energy: -245.025 Base-Backbone interact. energy: -2.003 local terms energy: -266.030119 where: bonds (distance) C4'-P energy: -50.658 bonds (distance) P-C4' energy: -45.504 flat angles C4'-P-C4' energy: -60.684 flat angles P-C4'-P energy: -45.771 tors. eta vs tors. theta energy: -63.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -737.847889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.847889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.847889 (E_RNA) where: Base-Base interactions energy: -485.155 where: short stacking energy: -206.337 Base-Backbone interact. energy: -1.540 local terms energy: -251.152710 where: bonds (distance) C4'-P energy: -40.051 bonds (distance) P-C4' energy: -60.206 flat angles C4'-P-C4' energy: -55.441 flat angles P-C4'-P energy: -42.947 tors. eta vs tors. theta energy: -52.509 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: 8 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -661.741040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.741040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.741040 (E_RNA) where: Base-Base interactions energy: -402.775 where: short stacking energy: -175.708 Base-Backbone interact. energy: -0.537 local terms energy: -258.428839 where: bonds (distance) C4'-P energy: -58.198 bonds (distance) P-C4' energy: -60.058 flat angles C4'-P-C4' energy: -63.174 flat angles P-C4'-P energy: -37.833 tors. eta vs tors. theta energy: -39.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -346.216487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.216487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.216487 (E_RNA) where: Base-Base interactions energy: -173.510 where: short stacking energy: -109.635 Base-Backbone interact. energy: -0.509 local terms energy: -172.197858 where: bonds (distance) C4'-P energy: -47.587 bonds (distance) P-C4' energy: -40.001 flat angles C4'-P-C4' energy: -56.141 flat angles P-C4'-P energy: -18.114 tors. eta vs tors. theta energy: -10.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -255.662129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.662129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.662129 (E_RNA) where: Base-Base interactions energy: -83.253 where: short stacking energy: -75.233 Base-Backbone interact. energy: -1.448 local terms energy: -170.960999 where: bonds (distance) C4'-P energy: -48.079 bonds (distance) P-C4' energy: -52.408 flat angles C4'-P-C4' energy: -54.582 flat angles P-C4'-P energy: -20.106 tors. eta vs tors. theta energy: 4.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -1104.173701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.173701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.173701 (E_RNA) where: Base-Base interactions energy: -759.402 where: short stacking energy: -318.067 Base-Backbone interact. energy: -2.803 local terms energy: -341.968228 where: bonds (distance) C4'-P energy: -73.739 bonds (distance) P-C4' energy: -64.111 flat angles C4'-P-C4' energy: -70.837 flat angles P-C4'-P energy: -42.588 tors. eta vs tors. theta energy: -90.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -1071.776813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.776813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.776813 (E_RNA) where: Base-Base interactions energy: -726.550 where: short stacking energy: -344.848 Base-Backbone interact. energy: 0.026 local terms energy: -345.252988 where: bonds (distance) C4'-P energy: -52.128 bonds (distance) P-C4' energy: -63.540 flat angles C4'-P-C4' energy: -74.715 flat angles P-C4'-P energy: -48.103 tors. eta vs tors. theta energy: -106.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -975.977221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.977221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.977221 (E_RNA) where: Base-Base interactions energy: -662.265 where: short stacking energy: -297.989 Base-Backbone interact. energy: -2.528 local terms energy: -311.183829 where: bonds (distance) C4'-P energy: -58.976 bonds (distance) P-C4' energy: -63.035 flat angles C4'-P-C4' energy: -64.228 flat angles P-C4'-P energy: -41.030 tors. eta vs tors. theta energy: -83.914 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: 4, replica: 7 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -952.695329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.695329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.695329 (E_RNA) where: Base-Base interactions energy: -638.907 where: short stacking energy: -275.185 Base-Backbone interact. energy: -0.051 local terms energy: -313.737095 where: bonds (distance) C4'-P energy: -64.202 bonds (distance) P-C4' energy: -61.858 flat angles C4'-P-C4' energy: -68.957 flat angles P-C4'-P energy: -38.388 tors. eta vs tors. theta energy: -80.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -909.590831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.590831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.590831 (E_RNA) where: Base-Base interactions energy: -632.688 where: short stacking energy: -260.589 Base-Backbone interact. energy: 0.165 local terms energy: -277.067237 where: bonds (distance) C4'-P energy: -51.117 bonds (distance) P-C4' energy: -48.013 flat angles C4'-P-C4' energy: -63.519 flat angles P-C4'-P energy: -47.754 tors. eta vs tors. theta energy: -66.664 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: 1 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -844.732810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.732810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.732810 (E_RNA) where: Base-Base interactions energy: -547.298 where: short stacking energy: -245.775 Base-Backbone interact. energy: -2.603 local terms energy: -294.832229 where: bonds (distance) C4'-P energy: -66.529 bonds (distance) P-C4' energy: -59.639 flat angles C4'-P-C4' energy: -55.017 flat angles P-C4'-P energy: -45.276 tors. eta vs tors. theta energy: -68.371 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: 6 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -725.437954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.437954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.437954 (E_RNA) where: Base-Base interactions energy: -483.937 where: short stacking energy: -208.078 Base-Backbone interact. energy: -1.295 local terms energy: -240.206108 where: bonds (distance) C4'-P energy: -57.094 bonds (distance) P-C4' energy: -55.791 flat angles C4'-P-C4' energy: -52.854 flat angles P-C4'-P energy: -35.071 tors. eta vs tors. theta energy: -39.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -676.768056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.768056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.768056 (E_RNA) where: Base-Base interactions energy: -427.625 where: short stacking energy: -180.701 Base-Backbone interact. energy: 0.429 local terms energy: -249.572752 where: bonds (distance) C4'-P energy: -61.840 bonds (distance) P-C4' energy: -57.992 flat angles C4'-P-C4' energy: -50.401 flat angles P-C4'-P energy: -41.182 tors. eta vs tors. theta energy: -38.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -352.490823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.490823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.490823 (E_RNA) where: Base-Base interactions energy: -148.640 where: short stacking energy: -100.276 Base-Backbone interact. energy: -0.413 local terms energy: -203.438049 where: bonds (distance) C4'-P energy: -62.976 bonds (distance) P-C4' energy: -63.872 flat angles C4'-P-C4' energy: -46.052 flat angles P-C4'-P energy: -30.003 tors. eta vs tors. theta energy: -0.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -262.917848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.917848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.917848 (E_RNA) where: Base-Base interactions energy: -95.581 where: short stacking energy: -76.747 Base-Backbone interact. energy: 0.006 local terms energy: -167.342937 where: bonds (distance) C4'-P energy: -44.924 bonds (distance) P-C4' energy: -55.723 flat angles C4'-P-C4' energy: -33.652 flat angles P-C4'-P energy: -30.933 tors. eta vs tors. theta energy: -2.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -1080.407217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.407217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.407217 (E_RNA) where: Base-Base interactions energy: -741.660 where: short stacking energy: -307.094 Base-Backbone interact. energy: -1.922 local terms energy: -336.825701 where: bonds (distance) C4'-P energy: -62.252 bonds (distance) P-C4' energy: -60.030 flat angles C4'-P-C4' energy: -68.121 flat angles P-C4'-P energy: -49.937 tors. eta vs tors. theta energy: -96.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -1060.047918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.047918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.047918 (E_RNA) where: Base-Base interactions energy: -704.133 where: short stacking energy: -331.654 Base-Backbone interact. energy: -0.027 local terms energy: -355.887710 where: bonds (distance) C4'-P energy: -64.273 bonds (distance) P-C4' energy: -65.461 flat angles C4'-P-C4' energy: -68.657 flat angles P-C4'-P energy: -51.258 tors. eta vs tors. theta energy: -106.238 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: 2 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -948.030212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.030212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.030212 (E_RNA) where: Base-Base interactions energy: -642.714 where: short stacking energy: -281.409 Base-Backbone interact. energy: -1.162 local terms energy: -304.153299 where: bonds (distance) C4'-P energy: -55.878 bonds (distance) P-C4' energy: -57.056 flat angles C4'-P-C4' energy: -62.486 flat angles P-C4'-P energy: -42.994 tors. eta vs tors. theta energy: -85.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -948.833280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.833280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.833280 (E_RNA) where: Base-Base interactions energy: -630.425 where: short stacking energy: -275.070 Base-Backbone interact. energy: -1.477 local terms energy: -316.930426 where: bonds (distance) C4'-P energy: -61.377 bonds (distance) P-C4' energy: -60.625 flat angles C4'-P-C4' energy: -69.697 flat angles P-C4'-P energy: -46.881 tors. eta vs tors. theta energy: -78.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -926.518546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.518546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.518546 (E_RNA) where: Base-Base interactions energy: -619.306 where: short stacking energy: -268.097 Base-Backbone interact. energy: -1.635 local terms energy: -305.577132 where: bonds (distance) C4'-P energy: -58.081 bonds (distance) P-C4' energy: -58.757 flat angles C4'-P-C4' energy: -60.757 flat angles P-C4'-P energy: -49.694 tors. eta vs tors. theta energy: -78.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -779.305022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.305022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.305022 (E_RNA) where: Base-Base interactions energy: -503.708 where: short stacking energy: -228.122 Base-Backbone interact. energy: 2.374 local terms energy: -277.970654 where: bonds (distance) C4'-P energy: -51.514 bonds (distance) P-C4' energy: -58.980 flat angles C4'-P-C4' energy: -61.094 flat angles P-C4'-P energy: -49.155 tors. eta vs tors. theta energy: -57.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -740.834713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.834713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.834713 (E_RNA) where: Base-Base interactions energy: -500.693 where: short stacking energy: -204.502 Base-Backbone interact. energy: -0.699 local terms energy: -239.442451 where: bonds (distance) C4'-P energy: -59.345 bonds (distance) P-C4' energy: -55.732 flat angles C4'-P-C4' energy: -49.042 flat angles P-C4'-P energy: -35.983 tors. eta vs tors. theta energy: -39.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -623.729401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.729401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.729401 (E_RNA) where: Base-Base interactions energy: -397.461 where: short stacking energy: -190.925 Base-Backbone interact. energy: -0.770 local terms energy: -225.498307 where: bonds (distance) C4'-P energy: -53.113 bonds (distance) P-C4' energy: -60.329 flat angles C4'-P-C4' energy: -53.207 flat angles P-C4'-P energy: -32.125 tors. eta vs tors. theta energy: -26.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -363.635321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.635321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.635321 (E_RNA) where: Base-Base interactions energy: -184.939 where: short stacking energy: -106.947 Base-Backbone interact. energy: -2.041 local terms energy: -176.654677 where: bonds (distance) C4'-P energy: -50.428 bonds (distance) P-C4' energy: -57.738 flat angles C4'-P-C4' energy: -41.662 flat angles P-C4'-P energy: -23.635 tors. eta vs tors. theta energy: -3.192 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: 4 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -269.382592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.382592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.382592 (E_RNA) where: Base-Base interactions energy: -93.988 where: short stacking energy: -78.844 Base-Backbone interact. energy: 3.340 local terms energy: -178.734556 where: bonds (distance) C4'-P energy: -44.480 bonds (distance) P-C4' energy: -55.465 flat angles C4'-P-C4' energy: -47.710 flat angles P-C4'-P energy: -33.353 tors. eta vs tors. theta energy: 2.273 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: 9 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -1096.691798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.691798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.691798 (E_RNA) where: Base-Base interactions energy: -759.720 where: short stacking energy: -320.453 Base-Backbone interact. energy: -0.295 local terms energy: -336.676170 where: bonds (distance) C4'-P energy: -66.990 bonds (distance) P-C4' energy: -68.997 flat angles C4'-P-C4' energy: -67.007 flat angles P-C4'-P energy: -39.151 tors. eta vs tors. theta energy: -94.531 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: 118 Temperature: 0.950000 Total energy: -1066.730080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.730080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.730080 (E_RNA) where: Base-Base interactions energy: -713.556 where: short stacking energy: -331.657 Base-Backbone interact. energy: -1.154 local terms energy: -352.019378 where: bonds (distance) C4'-P energy: -67.906 bonds (distance) P-C4' energy: -63.202 flat angles C4'-P-C4' energy: -69.673 flat angles P-C4'-P energy: -50.173 tors. eta vs tors. theta energy: -101.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -965.901474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.901474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.901474 (E_RNA) where: Base-Base interactions energy: -624.472 where: short stacking energy: -275.807 Base-Backbone interact. energy: 0.265 local terms energy: -341.695118 where: bonds (distance) C4'-P energy: -68.343 bonds (distance) P-C4' energy: -71.449 flat angles C4'-P-C4' energy: -64.760 flat angles P-C4'-P energy: -45.338 tors. eta vs tors. theta energy: -91.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -944.949398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.949398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.949398 (E_RNA) where: Base-Base interactions energy: -657.052 where: short stacking energy: -257.228 Base-Backbone interact. energy: -2.150 local terms energy: -285.748246 where: bonds (distance) C4'-P energy: -55.479 bonds (distance) P-C4' energy: -64.158 flat angles C4'-P-C4' energy: -65.699 flat angles P-C4'-P energy: -31.712 tors. eta vs tors. theta energy: -68.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -899.067660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.067660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.067660 (E_RNA) where: Base-Base interactions energy: -605.977 where: short stacking energy: -286.985 Base-Backbone interact. energy: 3.341 local terms energy: -296.432041 where: bonds (distance) C4'-P energy: -48.409 bonds (distance) P-C4' energy: -56.250 flat angles C4'-P-C4' energy: -71.502 flat angles P-C4'-P energy: -52.553 tors. eta vs tors. theta energy: -67.718 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: 6, replica: 1 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -808.743096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.743096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.743096 (E_RNA) where: Base-Base interactions energy: -523.760 where: short stacking energy: -235.897 Base-Backbone interact. energy: 0.267 local terms energy: -285.250760 where: bonds (distance) C4'-P energy: -60.368 bonds (distance) P-C4' energy: -60.197 flat angles C4'-P-C4' energy: -62.549 flat angles P-C4'-P energy: -43.565 tors. eta vs tors. theta energy: -58.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -759.020177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.020177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.020177 (E_RNA) where: Base-Base interactions energy: -483.046 where: short stacking energy: -223.952 Base-Backbone interact. energy: 1.372 local terms energy: -277.346913 where: bonds (distance) C4'-P energy: -51.553 bonds (distance) P-C4' energy: -55.394 flat angles C4'-P-C4' energy: -68.927 flat angles P-C4'-P energy: -34.686 tors. eta vs tors. theta energy: -66.787 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: 8 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -650.056340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.056340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.056340 (E_RNA) where: Base-Base interactions energy: -413.775 where: short stacking energy: -220.401 Base-Backbone interact. energy: -0.510 local terms energy: -235.771227 where: bonds (distance) C4'-P energy: -48.866 bonds (distance) P-C4' energy: -42.592 flat angles C4'-P-C4' energy: -55.329 flat angles P-C4'-P energy: -40.827 tors. eta vs tors. theta energy: -48.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -333.086770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.086770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.086770 (E_RNA) where: Base-Base interactions energy: -144.671 where: short stacking energy: -99.385 Base-Backbone interact. energy: 0.462 local terms energy: -188.878077 where: bonds (distance) C4'-P energy: -46.566 bonds (distance) P-C4' energy: -51.567 flat angles C4'-P-C4' energy: -49.011 flat angles P-C4'-P energy: -37.284 tors. eta vs tors. theta energy: -4.450 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: 4 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -277.888760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.888760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.888760 (E_RNA) where: Base-Base interactions energy: -111.445 where: short stacking energy: -77.080 Base-Backbone interact. energy: -1.601 local terms energy: -164.842370 where: bonds (distance) C4'-P energy: -44.616 bonds (distance) P-C4' energy: -73.017 flat angles C4'-P-C4' energy: -43.484 flat angles P-C4'-P energy: -17.055 tors. eta vs tors. theta energy: 13.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -1099.928863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.928863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.928863 (E_RNA) where: Base-Base interactions energy: -762.327 where: short stacking energy: -313.009 Base-Backbone interact. energy: -0.847 local terms energy: -336.754433 where: bonds (distance) C4'-P energy: -62.686 bonds (distance) P-C4' energy: -62.728 flat angles C4'-P-C4' energy: -66.598 flat angles P-C4'-P energy: -50.739 tors. eta vs tors. theta energy: -94.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -1063.300220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.300220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.300220 (E_RNA) where: Base-Base interactions energy: -718.777 where: short stacking energy: -322.468 Base-Backbone interact. energy: 1.448 local terms energy: -345.971937 where: bonds (distance) C4'-P energy: -61.036 bonds (distance) P-C4' energy: -59.549 flat angles C4'-P-C4' energy: -70.543 flat angles P-C4'-P energy: -53.330 tors. eta vs tors. theta energy: -101.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -985.515656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.515656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.515656 (E_RNA) where: Base-Base interactions energy: -671.484 where: short stacking energy: -309.869 Base-Backbone interact. energy: 3.113 local terms energy: -317.144149 where: bonds (distance) C4'-P energy: -61.507 bonds (distance) P-C4' energy: -59.059 flat angles C4'-P-C4' energy: -59.870 flat angles P-C4'-P energy: -49.922 tors. eta vs tors. theta energy: -86.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -923.740954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.740954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.740954 (E_RNA) where: Base-Base interactions energy: -633.813 where: short stacking energy: -239.792 Base-Backbone interact. energy: -0.373 local terms energy: -289.555182 where: bonds (distance) C4'-P energy: -55.598 bonds (distance) P-C4' energy: -62.802 flat angles C4'-P-C4' energy: -61.980 flat angles P-C4'-P energy: -42.802 tors. eta vs tors. theta energy: -66.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -896.465203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.465203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.465203 (E_RNA) where: Base-Base interactions energy: -621.391 where: short stacking energy: -260.406 Base-Backbone interact. energy: -0.241 local terms energy: -274.833492 where: bonds (distance) C4'-P energy: -55.215 bonds (distance) P-C4' energy: -57.133 flat angles C4'-P-C4' energy: -59.562 flat angles P-C4'-P energy: -38.719 tors. eta vs tors. theta energy: -64.205 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: 1 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -823.665093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.665093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.665093 (E_RNA) where: Base-Base interactions energy: -547.409 where: short stacking energy: -243.272 Base-Backbone interact. energy: -0.671 local terms energy: -275.585327 where: bonds (distance) C4'-P energy: -65.313 bonds (distance) P-C4' energy: -54.360 flat angles C4'-P-C4' energy: -55.897 flat angles P-C4'-P energy: -33.091 tors. eta vs tors. theta energy: -66.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -685.729363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.729363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.729363 (E_RNA) where: Base-Base interactions energy: -437.270 where: short stacking energy: -202.400 Base-Backbone interact. energy: -0.560 local terms energy: -247.900011 where: bonds (distance) C4'-P energy: -61.221 bonds (distance) P-C4' energy: -56.668 flat angles C4'-P-C4' energy: -42.745 flat angles P-C4'-P energy: -39.231 tors. eta vs tors. theta energy: -48.035 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: 8 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -646.326799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.326799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.326799 (E_RNA) where: Base-Base interactions energy: -408.978 where: short stacking energy: -200.762 Base-Backbone interact. energy: -0.826 local terms energy: -236.522619 where: bonds (distance) C4'-P energy: -50.334 bonds (distance) P-C4' energy: -53.392 flat angles C4'-P-C4' energy: -55.873 flat angles P-C4'-P energy: -31.925 tors. eta vs tors. theta energy: -44.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -366.001573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.001573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.001573 (E_RNA) where: Base-Base interactions energy: -168.552 where: short stacking energy: -116.831 Base-Backbone interact. energy: 0.883 local terms energy: -198.332684 where: bonds (distance) C4'-P energy: -56.216 bonds (distance) P-C4' energy: -58.639 flat angles C4'-P-C4' energy: -38.787 flat angles P-C4'-P energy: -42.498 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: 10, replica: 4 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -268.519036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.519036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.519036 (E_RNA) where: Base-Base interactions energy: -102.547 where: short stacking energy: -92.480 Base-Backbone interact. energy: 0.467 local terms energy: -166.438535 where: bonds (distance) C4'-P energy: -58.339 bonds (distance) P-C4' energy: -53.918 flat angles C4'-P-C4' energy: -45.409 flat angles P-C4'-P energy: -17.128 tors. eta vs tors. theta energy: 8.355 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: 3 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -1079.634195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.634195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.634195 (E_RNA) where: Base-Base interactions energy: -726.738 where: short stacking energy: -338.075 Base-Backbone interact. energy: 1.738 local terms energy: -354.634712 where: bonds (distance) C4'-P energy: -62.102 bonds (distance) P-C4' energy: -69.192 flat angles C4'-P-C4' energy: -79.327 flat angles P-C4'-P energy: -44.488 tors. eta vs tors. theta energy: -99.525 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: 9 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -1072.098942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.098942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.098942 (E_RNA) where: Base-Base interactions energy: -720.546 where: short stacking energy: -314.204 Base-Backbone interact. energy: -1.930 local terms energy: -349.622020 where: bonds (distance) C4'-P energy: -71.464 bonds (distance) P-C4' energy: -60.739 flat angles C4'-P-C4' energy: -76.254 flat angles P-C4'-P energy: -52.150 tors. eta vs tors. theta energy: -89.015 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: 2 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -955.505401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.505401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.505401 (E_RNA) where: Base-Base interactions energy: -628.212 where: short stacking energy: -304.007 Base-Backbone interact. energy: 0.430 local terms energy: -327.723029 where: bonds (distance) C4'-P energy: -63.761 bonds (distance) P-C4' energy: -52.841 flat angles C4'-P-C4' energy: -70.961 flat angles P-C4'-P energy: -50.353 tors. eta vs tors. theta energy: -89.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -935.779243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.779243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.779243 (E_RNA) where: Base-Base interactions energy: -635.054 where: short stacking energy: -266.133 Base-Backbone interact. energy: -1.951 local terms energy: -298.773734 where: bonds (distance) C4'-P energy: -52.228 bonds (distance) P-C4' energy: -64.489 flat angles C4'-P-C4' energy: -64.463 flat angles P-C4'-P energy: -40.266 tors. eta vs tors. theta energy: -77.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -881.940384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.940384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.940384 (E_RNA) where: Base-Base interactions energy: -589.661 where: short stacking energy: -261.699 Base-Backbone interact. energy: -0.034 local terms energy: -292.245064 where: bonds (distance) C4'-P energy: -52.448 bonds (distance) P-C4' energy: -67.937 flat angles C4'-P-C4' energy: -57.460 flat angles P-C4'-P energy: -43.423 tors. eta vs tors. theta energy: -70.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -793.416187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.416187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.416187 (E_RNA) where: Base-Base interactions energy: -535.803 where: short stacking energy: -224.359 Base-Backbone interact. energy: -2.149 local terms energy: -255.463449 where: bonds (distance) C4'-P energy: -46.053 bonds (distance) P-C4' energy: -58.651 flat angles C4'-P-C4' energy: -59.609 flat angles P-C4'-P energy: -34.729 tors. eta vs tors. theta energy: -56.422 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: 6 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -704.096950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.096950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.096950 (E_RNA) where: Base-Base interactions energy: -469.238 where: short stacking energy: -200.540 Base-Backbone interact. energy: -1.453 local terms energy: -233.405815 where: bonds (distance) C4'-P energy: -48.394 bonds (distance) P-C4' energy: -56.776 flat angles C4'-P-C4' energy: -58.528 flat angles P-C4'-P energy: -27.828 tors. eta vs tors. theta energy: -41.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -603.679137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.679137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.679137 (E_RNA) where: Base-Base interactions energy: -371.183 where: short stacking energy: -181.515 Base-Backbone interact. energy: -0.583 local terms energy: -231.913776 where: bonds (distance) C4'-P energy: -51.960 bonds (distance) P-C4' energy: -58.949 flat angles C4'-P-C4' energy: -49.244 flat angles P-C4'-P energy: -36.692 tors. eta vs tors. theta energy: -35.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -357.790206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.790206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.790206 (E_RNA) where: Base-Base interactions energy: -198.817 where: short stacking energy: -117.370 Base-Backbone interact. energy: 0.492 local terms energy: -159.464989 where: bonds (distance) C4'-P energy: -41.451 bonds (distance) P-C4' energy: -57.948 flat angles C4'-P-C4' energy: -32.639 flat angles P-C4'-P energy: -17.118 tors. eta vs tors. theta energy: -10.309 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: 10, replica: 4 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -280.146983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.146983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.146983 (E_RNA) where: Base-Base interactions energy: -110.469 where: short stacking energy: -89.632 Base-Backbone interact. energy: -2.580 local terms energy: -167.098326 where: bonds (distance) C4'-P energy: -52.764 bonds (distance) P-C4' energy: -54.058 flat angles C4'-P-C4' energy: -51.039 flat angles P-C4'-P energy: -14.135 tors. eta vs tors. theta energy: 4.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -1069.640004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.640004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.640004 (E_RNA) where: Base-Base interactions energy: -713.311 where: short stacking energy: -332.768 Base-Backbone interact. energy: -0.047 local terms energy: -356.281698 where: bonds (distance) C4'-P energy: -61.334 bonds (distance) P-C4' energy: -60.838 flat angles C4'-P-C4' energy: -72.674 flat angles P-C4'-P energy: -55.690 tors. eta vs tors. theta energy: -105.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -1080.337745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.337745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.337745 (E_RNA) where: Base-Base interactions energy: -738.154 where: short stacking energy: -312.821 Base-Backbone interact. energy: -1.466 local terms energy: -340.718253 where: bonds (distance) C4'-P energy: -64.671 bonds (distance) P-C4' energy: -63.882 flat angles C4'-P-C4' energy: -68.218 flat angles P-C4'-P energy: -52.079 tors. eta vs tors. theta energy: -91.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -987.840045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.840045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.840045 (E_RNA) where: Base-Base interactions energy: -664.568 where: short stacking energy: -301.677 Base-Backbone interact. energy: 1.308 local terms energy: -324.580015 where: bonds (distance) C4'-P energy: -65.132 bonds (distance) P-C4' energy: -59.517 flat angles C4'-P-C4' energy: -68.536 flat angles P-C4'-P energy: -45.540 tors. eta vs tors. theta energy: -85.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -938.513921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.513921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.513921 (E_RNA) where: Base-Base interactions energy: -637.907 where: short stacking energy: -270.060 Base-Backbone interact. energy: -0.080 local terms energy: -300.527319 where: bonds (distance) C4'-P energy: -55.275 bonds (distance) P-C4' energy: -62.564 flat angles C4'-P-C4' energy: -67.840 flat angles P-C4'-P energy: -40.078 tors. eta vs tors. theta energy: -74.770 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: 5, replica: 5 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -908.371453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.371453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.371453 (E_RNA) where: Base-Base interactions energy: -624.911 where: short stacking energy: -274.483 Base-Backbone interact. energy: -1.716 local terms energy: -281.744693 where: bonds (distance) C4'-P energy: -50.536 bonds (distance) P-C4' energy: -56.697 flat angles C4'-P-C4' energy: -69.618 flat angles P-C4'-P energy: -38.122 tors. eta vs tors. theta energy: -66.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -787.714802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.714802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.714802 (E_RNA) where: Base-Base interactions energy: -517.675 where: short stacking energy: -220.172 Base-Backbone interact. energy: -0.708 local terms energy: -269.332436 where: bonds (distance) C4'-P energy: -64.325 bonds (distance) P-C4' energy: -48.767 flat angles C4'-P-C4' energy: -63.155 flat angles P-C4'-P energy: -39.987 tors. eta vs tors. theta energy: -53.098 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: 6 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -685.044050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.044050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.044050 (E_RNA) where: Base-Base interactions energy: -450.567 where: short stacking energy: -183.982 Base-Backbone interact. energy: -0.206 local terms energy: -234.271226 where: bonds (distance) C4'-P energy: -63.096 bonds (distance) P-C4' energy: -58.714 flat angles C4'-P-C4' energy: -45.177 flat angles P-C4'-P energy: -31.569 tors. eta vs tors. theta energy: -35.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -608.953499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.953499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.953499 (E_RNA) where: Base-Base interactions energy: -375.234 where: short stacking energy: -178.387 Base-Backbone interact. energy: 1.690 local terms energy: -235.410165 where: bonds (distance) C4'-P energy: -53.530 bonds (distance) P-C4' energy: -57.709 flat angles C4'-P-C4' energy: -49.774 flat angles P-C4'-P energy: -36.377 tors. eta vs tors. theta energy: -38.021 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: 10 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -346.282057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.282057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.282057 (E_RNA) where: Base-Base interactions energy: -171.228 where: short stacking energy: -107.126 Base-Backbone interact. energy: 0.224 local terms energy: -175.278013 where: bonds (distance) C4'-P energy: -51.588 bonds (distance) P-C4' energy: -48.835 flat angles C4'-P-C4' energy: -44.861 flat angles P-C4'-P energy: -20.312 tors. eta vs tors. theta energy: -9.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -263.451867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.451867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.451867 (E_RNA) where: Base-Base interactions energy: -85.507 where: short stacking energy: -65.689 Base-Backbone interact. energy: 0.077 local terms energy: -178.021258 where: bonds (distance) C4'-P energy: -47.792 bonds (distance) P-C4' energy: -59.137 flat angles C4'-P-C4' energy: -53.437 flat angles P-C4'-P energy: -28.393 tors. eta vs tors. theta energy: 10.738 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: 9 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -1099.874940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.874940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.874940 (E_RNA) where: Base-Base interactions energy: -753.676 where: short stacking energy: -310.960 Base-Backbone interact. energy: -0.320 local terms energy: -345.879374 where: bonds (distance) C4'-P energy: -71.170 bonds (distance) P-C4' energy: -66.460 flat angles C4'-P-C4' energy: -71.447 flat angles P-C4'-P energy: -42.921 tors. eta vs tors. theta energy: -93.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -1054.519230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.519230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.519230 (E_RNA) where: Base-Base interactions energy: -701.456 where: short stacking energy: -319.701 Base-Backbone interact. energy: -0.405 local terms energy: -352.658755 where: bonds (distance) C4'-P energy: -66.249 bonds (distance) P-C4' energy: -67.160 flat angles C4'-P-C4' energy: -68.757 flat angles P-C4'-P energy: -51.233 tors. eta vs tors. theta energy: -99.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -964.319604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.319604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.319604 (E_RNA) where: Base-Base interactions energy: -666.362 where: short stacking energy: -289.604 Base-Backbone interact. energy: -3.446 local terms energy: -294.511251 where: bonds (distance) C4'-P energy: -58.490 bonds (distance) P-C4' energy: -50.593 flat angles C4'-P-C4' energy: -63.570 flat angles P-C4'-P energy: -40.577 tors. eta vs tors. theta energy: -81.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -939.667216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.667216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.667216 (E_RNA) where: Base-Base interactions energy: -629.133 where: short stacking energy: -282.439 Base-Backbone interact. energy: -2.199 local terms energy: -308.335443 where: bonds (distance) C4'-P energy: -59.638 bonds (distance) P-C4' energy: -53.758 flat angles C4'-P-C4' energy: -69.418 flat angles P-C4'-P energy: -45.344 tors. eta vs tors. theta energy: -80.177 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: 5 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -901.670886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.670886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.670886 (E_RNA) where: Base-Base interactions energy: -610.401 where: short stacking energy: -257.915 Base-Backbone interact. energy: -3.299 local terms energy: -287.970355 where: bonds (distance) C4'-P energy: -54.872 bonds (distance) P-C4' energy: -59.550 flat angles C4'-P-C4' energy: -65.191 flat angles P-C4'-P energy: -38.660 tors. eta vs tors. theta energy: -69.698 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: 1 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -772.960460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.960460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.960460 (E_RNA) where: Base-Base interactions energy: -530.437 where: short stacking energy: -234.540 Base-Backbone interact. energy: 1.268 local terms energy: -243.792068 where: bonds (distance) C4'-P energy: -51.663 bonds (distance) P-C4' energy: -52.823 flat angles C4'-P-C4' energy: -65.500 flat angles P-C4'-P energy: -20.673 tors. eta vs tors. theta energy: -53.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -675.099939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.099939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.099939 (E_RNA) where: Base-Base interactions energy: -411.401 where: short stacking energy: -169.461 Base-Backbone interact. energy: 0.909 local terms energy: -264.608259 where: bonds (distance) C4'-P energy: -56.999 bonds (distance) P-C4' energy: -67.505 flat angles C4'-P-C4' energy: -65.965 flat angles P-C4'-P energy: -33.489 tors. eta vs tors. theta energy: -40.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -616.399278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.399278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.399278 (E_RNA) where: Base-Base interactions energy: -395.951 where: short stacking energy: -177.473 Base-Backbone interact. energy: 0.699 local terms energy: -221.147529 where: bonds (distance) C4'-P energy: -35.630 bonds (distance) P-C4' energy: -54.551 flat angles C4'-P-C4' energy: -59.400 flat angles P-C4'-P energy: -47.100 tors. eta vs tors. theta energy: -24.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -386.321119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.321119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.321119 (E_RNA) where: Base-Base interactions energy: -193.610 where: short stacking energy: -113.083 Base-Backbone interact. energy: -0.308 local terms energy: -192.402627 where: bonds (distance) C4'-P energy: -57.571 bonds (distance) P-C4' energy: -59.734 flat angles C4'-P-C4' energy: -47.722 flat angles P-C4'-P energy: -11.820 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: 4 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -278.627773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.627773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.627773 (E_RNA) where: Base-Base interactions energy: -108.921 where: short stacking energy: -70.521 Base-Backbone interact. energy: 0.132 local terms energy: -169.839151 where: bonds (distance) C4'-P energy: -57.953 bonds (distance) P-C4' energy: -51.827 flat angles C4'-P-C4' energy: -51.586 flat angles P-C4'-P energy: -31.012 tors. eta vs tors. theta energy: 22.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -1112.164866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.164866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.164866 (E_RNA) where: Base-Base interactions energy: -747.549 where: short stacking energy: -318.648 Base-Backbone interact. energy: -2.373 local terms energy: -362.243273 where: bonds (distance) C4'-P energy: -67.798 bonds (distance) P-C4' energy: -71.303 flat angles C4'-P-C4' energy: -71.969 flat angles P-C4'-P energy: -52.461 tors. eta vs tors. theta energy: -98.713 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: 2, replica: 3 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -1074.743690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.743690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.743690 (E_RNA) where: Base-Base interactions energy: -726.795 where: short stacking energy: -343.801 Base-Backbone interact. energy: -2.299 local terms energy: -345.650045 where: bonds (distance) C4'-P energy: -60.499 bonds (distance) P-C4' energy: -60.649 flat angles C4'-P-C4' energy: -75.358 flat angles P-C4'-P energy: -46.425 tors. eta vs tors. theta energy: -102.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -962.966394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.966394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.966394 (E_RNA) where: Base-Base interactions energy: -653.278 where: short stacking energy: -258.973 Base-Backbone interact. energy: -1.559 local terms energy: -308.129426 where: bonds (distance) C4'-P energy: -61.517 bonds (distance) P-C4' energy: -69.416 flat angles C4'-P-C4' energy: -63.073 flat angles P-C4'-P energy: -40.070 tors. eta vs tors. theta energy: -74.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -946.153695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.153695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.153695 (E_RNA) where: Base-Base interactions energy: -622.448 where: short stacking energy: -283.729 Base-Backbone interact. energy: -2.055 local terms energy: -321.651338 where: bonds (distance) C4'-P energy: -62.779 bonds (distance) P-C4' energy: -58.854 flat angles C4'-P-C4' energy: -66.509 flat angles P-C4'-P energy: -49.561 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: 5, replica: 5 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -919.469349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.469349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.469349 (E_RNA) where: Base-Base interactions energy: -639.911 where: short stacking energy: -281.078 Base-Backbone interact. energy: 0.171 local terms energy: -279.729060 where: bonds (distance) C4'-P energy: -41.389 bonds (distance) P-C4' energy: -57.310 flat angles C4'-P-C4' energy: -61.169 flat angles P-C4'-P energy: -40.468 tors. eta vs tors. theta energy: -79.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -792.032849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.032849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.032849 (E_RNA) where: Base-Base interactions energy: -529.964 where: short stacking energy: -232.275 Base-Backbone interact. energy: -0.565 local terms energy: -261.503491 where: bonds (distance) C4'-P energy: -50.439 bonds (distance) P-C4' energy: -60.115 flat angles C4'-P-C4' energy: -58.654 flat angles P-C4'-P energy: -27.391 tors. eta vs tors. theta energy: -64.904 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: 7, replica: 6 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -704.628452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.628452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.628452 (E_RNA) where: Base-Base interactions energy: -448.960 where: short stacking energy: -205.108 Base-Backbone interact. energy: -1.773 local terms energy: -253.895537 where: bonds (distance) C4'-P energy: -52.344 bonds (distance) P-C4' energy: -51.945 flat angles C4'-P-C4' energy: -60.210 flat angles P-C4'-P energy: -41.872 tors. eta vs tors. theta energy: -47.524 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: 8 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -631.700884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.700884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.700884 (E_RNA) where: Base-Base interactions energy: -407.495 where: short stacking energy: -197.744 Base-Backbone interact. energy: -1.614 local terms energy: -222.591416 where: bonds (distance) C4'-P energy: -36.343 bonds (distance) P-C4' energy: -56.445 flat angles C4'-P-C4' energy: -56.810 flat angles P-C4'-P energy: -37.392 tors. eta vs tors. theta energy: -35.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -345.864517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.864517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.864517 (E_RNA) where: Base-Base interactions energy: -161.710 where: short stacking energy: -123.833 Base-Backbone interact. energy: -1.979 local terms energy: -182.174896 where: bonds (distance) C4'-P energy: -52.671 bonds (distance) P-C4' energy: -56.611 flat angles C4'-P-C4' energy: -50.834 flat angles P-C4'-P energy: -21.995 tors. eta vs tors. theta energy: -0.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -284.443601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.443601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.443601 (E_RNA) where: Base-Base interactions energy: -91.992 where: short stacking energy: -87.923 Base-Backbone interact. energy: 0.029 local terms energy: -192.480708 where: bonds (distance) C4'-P energy: -54.906 bonds (distance) P-C4' energy: -63.403 flat angles C4'-P-C4' energy: -45.158 flat angles P-C4'-P energy: -25.642 tors. eta vs tors. theta energy: -3.372 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: 124 Temperature: 0.900000 Total energy: -1121.095408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.095408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.095408 (E_RNA) where: Base-Base interactions energy: -777.490 where: short stacking energy: -325.845 Base-Backbone interact. energy: -1.604 local terms energy: -342.001736 where: bonds (distance) C4'-P energy: -65.330 bonds (distance) P-C4' energy: -60.723 flat angles C4'-P-C4' energy: -71.783 flat angles P-C4'-P energy: -44.773 tors. eta vs tors. theta energy: -99.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -1071.652158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.652158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.652158 (E_RNA) where: Base-Base interactions energy: -723.142 where: short stacking energy: -335.348 Base-Backbone interact. energy: -0.163 local terms energy: -348.347482 where: bonds (distance) C4'-P energy: -65.299 bonds (distance) P-C4' energy: -65.647 flat angles C4'-P-C4' energy: -68.470 flat angles P-C4'-P energy: -44.630 tors. eta vs tors. theta energy: -104.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -940.279919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.279919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.279919 (E_RNA) where: Base-Base interactions energy: -626.727 where: short stacking energy: -287.803 Base-Backbone interact. energy: 0.140 local terms energy: -313.692310 where: bonds (distance) C4'-P energy: -54.028 bonds (distance) P-C4' energy: -64.786 flat angles C4'-P-C4' energy: -69.509 flat angles P-C4'-P energy: -44.965 tors. eta vs tors. theta energy: -80.405 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: 7 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -956.932646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.932646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.932646 (E_RNA) where: Base-Base interactions energy: -637.551 where: short stacking energy: -275.983 Base-Backbone interact. energy: -1.823 local terms energy: -317.558764 where: bonds (distance) C4'-P energy: -62.206 bonds (distance) P-C4' energy: -62.637 flat angles C4'-P-C4' energy: -65.725 flat angles P-C4'-P energy: -51.972 tors. eta vs tors. theta energy: -75.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -926.839750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.839750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.839750 (E_RNA) where: Base-Base interactions energy: -623.969 where: short stacking energy: -269.372 Base-Backbone interact. energy: 0.366 local terms energy: -303.237209 where: bonds (distance) C4'-P energy: -54.646 bonds (distance) P-C4' energy: -60.239 flat angles C4'-P-C4' energy: -60.291 flat angles P-C4'-P energy: -51.202 tors. eta vs tors. theta energy: -76.859 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: 1 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -833.041518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.041518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.041518 (E_RNA) where: Base-Base interactions energy: -538.192 where: short stacking energy: -255.763 Base-Backbone interact. energy: -0.557 local terms energy: -294.293058 where: bonds (distance) C4'-P energy: -66.838 bonds (distance) P-C4' energy: -50.262 flat angles C4'-P-C4' energy: -63.326 flat angles P-C4'-P energy: -46.496 tors. eta vs tors. theta energy: -67.371 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: 6 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -677.075411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.075411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.075411 (E_RNA) where: Base-Base interactions energy: -435.310 where: short stacking energy: -211.888 Base-Backbone interact. energy: 4.234 local terms energy: -245.999583 where: bonds (distance) C4'-P energy: -62.950 bonds (distance) P-C4' energy: -55.803 flat angles C4'-P-C4' energy: -47.581 flat angles P-C4'-P energy: -39.336 tors. eta vs tors. theta energy: -40.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -654.592208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.592208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.592208 (E_RNA) where: Base-Base interactions energy: -446.525 where: short stacking energy: -202.991 Base-Backbone interact. energy: 1.009 local terms energy: -209.076827 where: bonds (distance) C4'-P energy: -37.731 bonds (distance) P-C4' energy: -54.757 flat angles C4'-P-C4' energy: -43.029 flat angles P-C4'-P energy: -26.406 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: 9, replica: 10 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -343.969923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.969923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.969923 (E_RNA) where: Base-Base interactions energy: -166.793 where: short stacking energy: -109.617 Base-Backbone interact. energy: -0.939 local terms energy: -176.237619 where: bonds (distance) C4'-P energy: -40.161 bonds (distance) P-C4' energy: -61.396 flat angles C4'-P-C4' energy: -35.672 flat angles P-C4'-P energy: -31.355 tors. eta vs tors. theta energy: -7.654 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: 4 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -269.828263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.828263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.828263 (E_RNA) where: Base-Base interactions energy: -91.952 where: short stacking energy: -73.761 Base-Backbone interact. energy: -1.497 local terms energy: -176.379313 where: bonds (distance) C4'-P energy: -48.552 bonds (distance) P-C4' energy: -55.081 flat angles C4'-P-C4' energy: -44.400 flat angles P-C4'-P energy: -29.432 tors. eta vs tors. theta energy: 1.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -1120.347295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.347295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.347295 (E_RNA) where: Base-Base interactions energy: -793.766 where: short stacking energy: -342.276 Base-Backbone interact. energy: -3.065 local terms energy: -323.515796 where: bonds (distance) C4'-P energy: -51.820 bonds (distance) P-C4' energy: -54.729 flat angles C4'-P-C4' energy: -72.159 flat angles P-C4'-P energy: -48.131 tors. eta vs tors. theta energy: -96.677 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: 2, replica: 3 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -1071.614610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.614610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.614610 (E_RNA) where: Base-Base interactions energy: -733.947 where: short stacking energy: -334.618 Base-Backbone interact. energy: -0.808 local terms energy: -336.859990 where: bonds (distance) C4'-P energy: -57.066 bonds (distance) P-C4' energy: -57.637 flat angles C4'-P-C4' energy: -71.528 flat angles P-C4'-P energy: -51.142 tors. eta vs tors. theta energy: -99.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -969.031166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.031166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.031166 (E_RNA) where: Base-Base interactions energy: -657.835 where: short stacking energy: -276.461 Base-Backbone interact. energy: -0.654 local terms energy: -310.542098 where: bonds (distance) C4'-P energy: -59.060 bonds (distance) P-C4' energy: -58.176 flat angles C4'-P-C4' energy: -69.144 flat angles P-C4'-P energy: -40.600 tors. eta vs tors. theta energy: -83.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -982.244841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.244841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.244841 (E_RNA) where: Base-Base interactions energy: -656.837 where: short stacking energy: -294.324 Base-Backbone interact. energy: -2.324 local terms energy: -323.084016 where: bonds (distance) C4'-P energy: -63.396 bonds (distance) P-C4' energy: -63.278 flat angles C4'-P-C4' energy: -68.313 flat angles P-C4'-P energy: -45.262 tors. eta vs tors. theta energy: -82.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -911.238762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.238762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.238762 (E_RNA) where: Base-Base interactions energy: -602.549 where: short stacking energy: -262.624 Base-Backbone interact. energy: -1.313 local terms energy: -307.376629 where: bonds (distance) C4'-P energy: -55.470 bonds (distance) P-C4' energy: -66.025 flat angles C4'-P-C4' energy: -68.813 flat angles P-C4'-P energy: -42.390 tors. eta vs tors. theta energy: -74.678 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: 1 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -790.360861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.360861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.360861 (E_RNA) where: Base-Base interactions energy: -508.201 where: short stacking energy: -227.059 Base-Backbone interact. energy: -1.261 local terms energy: -280.899151 where: bonds (distance) C4'-P energy: -53.687 bonds (distance) P-C4' energy: -59.005 flat angles C4'-P-C4' energy: -55.865 flat angles P-C4'-P energy: -45.159 tors. eta vs tors. theta energy: -67.183 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: 6 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -692.608163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.608163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.608163 (E_RNA) where: Base-Base interactions energy: -441.653 where: short stacking energy: -207.662 Base-Backbone interact. energy: -1.877 local terms energy: -249.078388 where: bonds (distance) C4'-P energy: -46.622 bonds (distance) P-C4' energy: -46.486 flat angles C4'-P-C4' energy: -63.048 flat angles P-C4'-P energy: -54.824 tors. eta vs tors. theta energy: -38.098 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: 8 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -718.017529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.017529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.017529 (E_RNA) where: Base-Base interactions energy: -469.478 where: short stacking energy: -230.402 Base-Backbone interact. energy: -1.388 local terms energy: -247.152443 where: bonds (distance) C4'-P energy: -48.885 bonds (distance) P-C4' energy: -57.956 flat angles C4'-P-C4' energy: -52.645 flat angles P-C4'-P energy: -27.853 tors. eta vs tors. theta energy: -59.814 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: 10 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -384.982639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.982639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.982639 (E_RNA) where: Base-Base interactions energy: -181.111 where: short stacking energy: -113.880 Base-Backbone interact. energy: 0.182 local terms energy: -204.053218 where: bonds (distance) C4'-P energy: -41.394 bonds (distance) P-C4' energy: -62.908 flat angles C4'-P-C4' energy: -59.237 flat angles P-C4'-P energy: -33.026 tors. eta vs tors. theta energy: -7.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -262.767136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.767136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.767136 (E_RNA) where: Base-Base interactions energy: -88.963 where: short stacking energy: -78.811 Base-Backbone interact. energy: 0.074 local terms energy: -173.878010 where: bonds (distance) C4'-P energy: -49.228 bonds (distance) P-C4' energy: -61.238 flat angles C4'-P-C4' energy: -39.918 flat angles P-C4'-P energy: -31.885 tors. eta vs tors. theta energy: 8.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -1087.419806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.419806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.419806 (E_RNA) where: Base-Base interactions energy: -745.259 where: short stacking energy: -319.335 Base-Backbone interact. energy: 0.026 local terms energy: -342.186836 where: bonds (distance) C4'-P energy: -66.653 bonds (distance) P-C4' energy: -61.378 flat angles C4'-P-C4' energy: -67.228 flat angles P-C4'-P energy: -51.605 tors. eta vs tors. theta energy: -95.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -1080.684914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.684914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.684914 (E_RNA) where: Base-Base interactions energy: -736.329 where: short stacking energy: -317.152 Base-Backbone interact. energy: -1.142 local terms energy: -343.213482 where: bonds (distance) C4'-P energy: -62.564 bonds (distance) P-C4' energy: -64.889 flat angles C4'-P-C4' energy: -67.413 flat angles P-C4'-P energy: -47.072 tors. eta vs tors. theta energy: -101.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -990.631323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.631323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.631323 (E_RNA) where: Base-Base interactions energy: -685.435 where: short stacking energy: -297.121 Base-Backbone interact. energy: 0.169 local terms energy: -305.365844 where: bonds (distance) C4'-P energy: -47.061 bonds (distance) P-C4' energy: -56.046 flat angles C4'-P-C4' energy: -68.329 flat angles P-C4'-P energy: -50.983 tors. eta vs tors. theta energy: -82.947 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: 2 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -963.063531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.063531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.063531 (E_RNA) where: Base-Base interactions energy: -647.244 where: short stacking energy: -292.886 Base-Backbone interact. energy: -0.177 local terms energy: -315.642840 where: bonds (distance) C4'-P energy: -50.474 bonds (distance) P-C4' energy: -66.136 flat angles C4'-P-C4' energy: -62.581 flat angles P-C4'-P energy: -52.423 tors. eta vs tors. theta energy: -84.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -915.304470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.304470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.304470 (E_RNA) where: Base-Base interactions energy: -615.752 where: short stacking energy: -253.975 Base-Backbone interact. energy: -1.860 local terms energy: -297.692699 where: bonds (distance) C4'-P energy: -53.561 bonds (distance) P-C4' energy: -54.286 flat angles C4'-P-C4' energy: -74.076 flat angles P-C4'-P energy: -43.999 tors. eta vs tors. theta energy: -71.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -826.199062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.199062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.199062 (E_RNA) where: Base-Base interactions energy: -535.480 where: short stacking energy: -234.631 Base-Backbone interact. energy: -0.585 local terms energy: -290.133909 where: bonds (distance) C4'-P energy: -62.778 bonds (distance) P-C4' energy: -59.023 flat angles C4'-P-C4' energy: -68.383 flat angles P-C4'-P energy: -41.209 tors. eta vs tors. theta energy: -58.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -690.583250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.583250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.583250 (E_RNA) where: Base-Base interactions energy: -458.811 where: short stacking energy: -213.885 Base-Backbone interact. energy: -2.384 local terms energy: -229.388585 where: bonds (distance) C4'-P energy: -51.852 bonds (distance) P-C4' energy: -41.172 flat angles C4'-P-C4' energy: -66.757 flat angles P-C4'-P energy: -29.736 tors. eta vs tors. theta energy: -39.873 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: 8 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -643.581265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.581265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.581265 (E_RNA) where: Base-Base interactions energy: -424.094 where: short stacking energy: -208.967 Base-Backbone interact. energy: -1.405 local terms energy: -218.082213 where: bonds (distance) C4'-P energy: -40.342 bonds (distance) P-C4' energy: -60.713 flat angles C4'-P-C4' energy: -50.513 flat angles P-C4'-P energy: -29.968 tors. eta vs tors. theta energy: -36.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -340.038851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.038851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.038851 (E_RNA) where: Base-Base interactions energy: -139.590 where: short stacking energy: -91.296 Base-Backbone interact. energy: -0.906 local terms energy: -199.543691 where: bonds (distance) C4'-P energy: -66.001 bonds (distance) P-C4' energy: -55.192 flat angles C4'-P-C4' energy: -45.793 flat angles P-C4'-P energy: -38.938 tors. eta vs tors. theta energy: 6.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -288.413054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.413054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.413054 (E_RNA) where: Base-Base interactions energy: -95.847 where: short stacking energy: -87.350 Base-Backbone interact. energy: -0.345 local terms energy: -192.221386 where: bonds (distance) C4'-P energy: -46.027 bonds (distance) P-C4' energy: -60.732 flat angles C4'-P-C4' energy: -54.035 flat angles P-C4'-P energy: -29.309 tors. eta vs tors. theta energy: -2.118 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: 9 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -1116.873059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.873059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.873059 (E_RNA) where: Base-Base interactions energy: -770.979 where: short stacking energy: -320.901 Base-Backbone interact. energy: -3.151 local terms energy: -342.742571 where: bonds (distance) C4'-P energy: -61.729 bonds (distance) P-C4' energy: -68.018 flat angles C4'-P-C4' energy: -76.441 flat angles P-C4'-P energy: -39.570 tors. eta vs tors. theta energy: -96.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -1081.893681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.893681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.893681 (E_RNA) where: Base-Base interactions energy: -749.239 where: short stacking energy: -321.826 Base-Backbone interact. energy: -1.002 local terms energy: -331.652152 where: bonds (distance) C4'-P energy: -58.453 bonds (distance) P-C4' energy: -65.684 flat angles C4'-P-C4' energy: -67.383 flat angles P-C4'-P energy: -48.699 tors. eta vs tors. theta energy: -91.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -1002.757709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.757709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.757709 (E_RNA) where: Base-Base interactions energy: -684.216 where: short stacking energy: -295.121 Base-Backbone interact. energy: -1.093 local terms energy: -317.448708 where: bonds (distance) C4'-P energy: -58.801 bonds (distance) P-C4' energy: -55.782 flat angles C4'-P-C4' energy: -72.693 flat angles P-C4'-P energy: -50.732 tors. eta vs tors. theta energy: -79.440 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: 7 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -971.636084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.636084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.636084 (E_RNA) where: Base-Base interactions energy: -674.534 where: short stacking energy: -298.772 Base-Backbone interact. energy: -0.935 local terms energy: -296.166892 where: bonds (distance) C4'-P energy: -53.357 bonds (distance) P-C4' energy: -66.333 flat angles C4'-P-C4' energy: -67.500 flat angles P-C4'-P energy: -34.703 tors. eta vs tors. theta energy: -74.274 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: 5, replica: 2 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -924.298517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.298517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.298517 (E_RNA) where: Base-Base interactions energy: -632.795 where: short stacking energy: -278.314 Base-Backbone interact. energy: 0.204 local terms energy: -291.708160 where: bonds (distance) C4'-P energy: -58.095 bonds (distance) P-C4' energy: -45.317 flat angles C4'-P-C4' energy: -66.227 flat angles P-C4'-P energy: -46.219 tors. eta vs tors. theta energy: -75.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -799.690968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.690968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.690968 (E_RNA) where: Base-Base interactions energy: -529.237 where: short stacking energy: -208.546 Base-Backbone interact. energy: -0.147 local terms energy: -270.306959 where: bonds (distance) C4'-P energy: -66.516 bonds (distance) P-C4' energy: -56.915 flat angles C4'-P-C4' energy: -54.879 flat angles P-C4'-P energy: -40.325 tors. eta vs tors. theta energy: -51.671 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: 7, replica: 6 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -700.213226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.213226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.213226 (E_RNA) where: Base-Base interactions energy: -443.649 where: short stacking energy: -214.153 Base-Backbone interact. energy: -0.001 local terms energy: -256.563991 where: bonds (distance) C4'-P energy: -46.088 bonds (distance) P-C4' energy: -58.419 flat angles C4'-P-C4' energy: -63.488 flat angles P-C4'-P energy: -31.029 tors. eta vs tors. theta energy: -57.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -687.730631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.730631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.730631 (E_RNA) where: Base-Base interactions energy: -423.533 where: short stacking energy: -196.483 Base-Backbone interact. energy: -0.332 local terms energy: -263.864755 where: bonds (distance) C4'-P energy: -56.572 bonds (distance) P-C4' energy: -62.929 flat angles C4'-P-C4' energy: -57.596 flat angles P-C4'-P energy: -48.101 tors. eta vs tors. theta energy: -38.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -360.637065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.637065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.637065 (E_RNA) where: Base-Base interactions energy: -163.898 where: short stacking energy: -99.397 Base-Backbone interact. energy: 1.509 local terms energy: -198.248437 where: bonds (distance) C4'-P energy: -56.415 bonds (distance) P-C4' energy: -57.406 flat angles C4'-P-C4' energy: -40.964 flat angles P-C4'-P energy: -40.993 tors. eta vs tors. theta energy: -2.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -264.783097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.783097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.783097 (E_RNA) where: Base-Base interactions energy: -91.195 where: short stacking energy: -85.761 Base-Backbone interact. energy: 2.534 local terms energy: -176.122645 where: bonds (distance) C4'-P energy: -48.350 bonds (distance) P-C4' energy: -50.462 flat angles C4'-P-C4' energy: -46.793 flat angles P-C4'-P energy: -33.085 tors. eta vs tors. theta energy: 2.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -1106.882430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.882430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.882430 (E_RNA) where: Base-Base interactions energy: -752.572 where: short stacking energy: -307.523 Base-Backbone interact. energy: -2.513 local terms energy: -351.797252 where: bonds (distance) C4'-P energy: -66.146 bonds (distance) P-C4' energy: -66.128 flat angles C4'-P-C4' energy: -75.392 flat angles P-C4'-P energy: -48.257 tors. eta vs tors. theta energy: -95.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -1092.040406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.040406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.040406 (E_RNA) where: Base-Base interactions energy: -728.666 where: short stacking energy: -321.132 Base-Backbone interact. energy: -0.508 local terms energy: -362.866181 where: bonds (distance) C4'-P energy: -66.798 bonds (distance) P-C4' energy: -69.286 flat angles C4'-P-C4' energy: -69.278 flat angles P-C4'-P energy: -53.169 tors. eta vs tors. theta energy: -104.336 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: 5 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -1031.612653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.612653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.612653 (E_RNA) where: Base-Base interactions energy: -689.019 where: short stacking energy: -302.803 Base-Backbone interact. energy: -2.200 local terms energy: -340.393847 where: bonds (distance) C4'-P energy: -66.589 bonds (distance) P-C4' energy: -69.730 flat angles C4'-P-C4' energy: -68.798 flat angles P-C4'-P energy: -44.640 tors. eta vs tors. theta energy: -90.637 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: 7 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -953.912125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.912125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.912125 (E_RNA) where: Base-Base interactions energy: -634.990 where: short stacking energy: -276.145 Base-Backbone interact. energy: -0.083 local terms energy: -318.839070 where: bonds (distance) C4'-P energy: -53.972 bonds (distance) P-C4' energy: -66.404 flat angles C4'-P-C4' energy: -69.405 flat angles P-C4'-P energy: -46.226 tors. eta vs tors. theta energy: -82.833 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: 2 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -888.152620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.152620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.152620 (E_RNA) where: Base-Base interactions energy: -578.284 where: short stacking energy: -272.222 Base-Backbone interact. energy: -1.551 local terms energy: -308.317983 where: bonds (distance) C4'-P energy: -67.964 bonds (distance) P-C4' energy: -51.406 flat angles C4'-P-C4' energy: -69.436 flat angles P-C4'-P energy: -42.520 tors. eta vs tors. theta energy: -76.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -838.167571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.167571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.167571 (E_RNA) where: Base-Base interactions energy: -556.297 where: short stacking energy: -251.629 Base-Backbone interact. energy: -0.560 local terms energy: -281.311018 where: bonds (distance) C4'-P energy: -52.563 bonds (distance) P-C4' energy: -55.746 flat angles C4'-P-C4' energy: -64.667 flat angles P-C4'-P energy: -38.848 tors. eta vs tors. theta energy: -69.486 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: 6 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -651.112994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.112994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.112994 (E_RNA) where: Base-Base interactions energy: -391.779 where: short stacking energy: -172.588 Base-Backbone interact. energy: -0.925 local terms energy: -258.409033 where: bonds (distance) C4'-P energy: -55.059 bonds (distance) P-C4' energy: -63.158 flat angles C4'-P-C4' energy: -63.468 flat angles P-C4'-P energy: -35.860 tors. eta vs tors. theta energy: -40.864 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: 8 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -656.455809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.455809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.455809 (E_RNA) where: Base-Base interactions energy: -385.448 where: short stacking energy: -170.387 Base-Backbone interact. energy: 0.041 local terms energy: -271.048984 where: bonds (distance) C4'-P energy: -56.514 bonds (distance) P-C4' energy: -67.834 flat angles C4'-P-C4' energy: -64.601 flat angles P-C4'-P energy: -42.959 tors. eta vs tors. theta energy: -39.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -293.098851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.098851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.098851 (E_RNA) where: Base-Base interactions energy: -97.828 where: short stacking energy: -82.227 Base-Backbone interact. energy: -1.206 local terms energy: -194.064900 where: bonds (distance) C4'-P energy: -58.251 bonds (distance) P-C4' energy: -60.056 flat angles C4'-P-C4' energy: -44.675 flat angles P-C4'-P energy: -30.128 tors. eta vs tors. theta energy: -0.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -344.526525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.526525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.526525 (E_RNA) where: Base-Base interactions energy: -160.899 where: short stacking energy: -100.991 Base-Backbone interact. energy: 2.134 local terms energy: -185.762230 where: bonds (distance) C4'-P energy: -44.838 bonds (distance) P-C4' energy: -51.159 flat angles C4'-P-C4' energy: -44.797 flat angles P-C4'-P energy: -37.881 tors. eta vs tors. theta energy: -7.088 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: 129 Temperature: 0.900000 Total energy: -1102.624299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.624299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.624299 (E_RNA) where: Base-Base interactions energy: -774.648 where: short stacking energy: -327.502 Base-Backbone interact. energy: -3.062 local terms energy: -324.914034 where: bonds (distance) C4'-P energy: -60.281 bonds (distance) P-C4' energy: -58.355 flat angles C4'-P-C4' energy: -66.899 flat angles P-C4'-P energy: -40.590 tors. eta vs tors. theta energy: -98.789 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: 3 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -1076.195689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.195689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.195689 (E_RNA) where: Base-Base interactions energy: -719.907 where: short stacking energy: -337.012 Base-Backbone interact. energy: -0.711 local terms energy: -355.577335 where: bonds (distance) C4'-P energy: -64.667 bonds (distance) P-C4' energy: -61.399 flat angles C4'-P-C4' energy: -71.634 flat angles P-C4'-P energy: -50.919 tors. eta vs tors. theta energy: -106.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -1035.840161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.840161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.840161 (E_RNA) where: Base-Base interactions energy: -706.074 where: short stacking energy: -317.358 Base-Backbone interact. energy: -1.149 local terms energy: -328.616889 where: bonds (distance) C4'-P energy: -56.432 bonds (distance) P-C4' energy: -59.141 flat angles C4'-P-C4' energy: -81.245 flat angles P-C4'-P energy: -41.068 tors. eta vs tors. theta energy: -90.731 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: 4, replica: 7 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -963.684082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.684082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.684082 (E_RNA) where: Base-Base interactions energy: -651.842 where: short stacking energy: -267.846 Base-Backbone interact. energy: -1.394 local terms energy: -310.447942 where: bonds (distance) C4'-P energy: -54.922 bonds (distance) P-C4' energy: -61.987 flat angles C4'-P-C4' energy: -69.384 flat angles P-C4'-P energy: -48.158 tors. eta vs tors. theta energy: -75.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -893.011341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.011341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.011341 (E_RNA) where: Base-Base interactions energy: -590.009 where: short stacking energy: -264.932 Base-Backbone interact. energy: -0.636 local terms energy: -302.365490 where: bonds (distance) C4'-P energy: -44.607 bonds (distance) P-C4' energy: -66.394 flat angles C4'-P-C4' energy: -68.848 flat angles P-C4'-P energy: -41.774 tors. eta vs tors. theta energy: -80.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -821.711022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.711022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.711022 (E_RNA) where: Base-Base interactions energy: -533.425 where: short stacking energy: -237.473 Base-Backbone interact. energy: 0.090 local terms energy: -288.376238 where: bonds (distance) C4'-P energy: -60.556 bonds (distance) P-C4' energy: -57.806 flat angles C4'-P-C4' energy: -59.246 flat angles P-C4'-P energy: -45.913 tors. eta vs tors. theta energy: -64.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -659.228311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.228311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.228311 (E_RNA) where: Base-Base interactions energy: -407.632 where: short stacking energy: -199.249 Base-Backbone interact. energy: -1.487 local terms energy: -250.109053 where: bonds (distance) C4'-P energy: -55.095 bonds (distance) P-C4' energy: -58.660 flat angles C4'-P-C4' energy: -63.324 flat angles P-C4'-P energy: -36.120 tors. eta vs tors. theta energy: -36.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -601.524795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.524795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.524795 (E_RNA) where: Base-Base interactions energy: -375.918 where: short stacking energy: -173.947 Base-Backbone interact. energy: 1.071 local terms energy: -226.677774 where: bonds (distance) C4'-P energy: -44.328 bonds (distance) P-C4' energy: -51.612 flat angles C4'-P-C4' energy: -56.867 flat angles P-C4'-P energy: -32.188 tors. eta vs tors. theta energy: -41.683 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: 4 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -281.418318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.418318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.418318 (E_RNA) where: Base-Base interactions energy: -91.309 where: short stacking energy: -76.702 Base-Backbone interact. energy: 2.215 local terms energy: -192.324070 where: bonds (distance) C4'-P energy: -61.089 bonds (distance) P-C4' energy: -57.678 flat angles C4'-P-C4' energy: -42.095 flat angles P-C4'-P energy: -28.355 tors. eta vs tors. theta energy: -3.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -313.314488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.314488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.314488 (E_RNA) where: Base-Base interactions energy: -147.219 where: short stacking energy: -90.371 Base-Backbone interact. energy: -1.053 local terms energy: -165.042338 where: bonds (distance) C4'-P energy: -57.658 bonds (distance) P-C4' energy: -52.976 flat angles C4'-P-C4' energy: -40.331 flat angles P-C4'-P energy: -21.691 tors. eta vs tors. theta energy: 7.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -1121.360879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.360879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.360879 (E_RNA) where: Base-Base interactions energy: -769.827 where: short stacking energy: -331.961 Base-Backbone interact. energy: -1.957 local terms energy: -349.577294 where: bonds (distance) C4'-P energy: -68.909 bonds (distance) P-C4' energy: -65.643 flat angles C4'-P-C4' energy: -72.223 flat angles P-C4'-P energy: -47.464 tors. eta vs tors. theta energy: -95.338 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: 130 Temperature: 0.950000 Total energy: -1055.203425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.203425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.203425 (E_RNA) where: Base-Base interactions energy: -716.467 where: short stacking energy: -316.594 Base-Backbone interact. energy: -1.039 local terms energy: -337.697429 where: bonds (distance) C4'-P energy: -62.612 bonds (distance) P-C4' energy: -55.209 flat angles C4'-P-C4' energy: -70.268 flat angles P-C4'-P energy: -46.171 tors. eta vs tors. theta energy: -103.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -1008.288194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.288194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.288194 (E_RNA) where: Base-Base interactions energy: -684.613 where: short stacking energy: -283.592 Base-Backbone interact. energy: -2.062 local terms energy: -321.613071 where: bonds (distance) C4'-P energy: -66.670 bonds (distance) P-C4' energy: -57.702 flat angles C4'-P-C4' energy: -65.368 flat angles P-C4'-P energy: -51.502 tors. eta vs tors. theta energy: -80.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -995.948830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.948830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.948830 (E_RNA) where: Base-Base interactions energy: -661.542 where: short stacking energy: -297.518 Base-Backbone interact. energy: -2.620 local terms energy: -331.786269 where: bonds (distance) C4'-P energy: -53.671 bonds (distance) P-C4' energy: -62.994 flat angles C4'-P-C4' energy: -69.772 flat angles P-C4'-P energy: -57.544 tors. eta vs tors. theta energy: -87.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -888.622431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.622431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.622431 (E_RNA) where: Base-Base interactions energy: -609.718 where: short stacking energy: -286.283 Base-Backbone interact. energy: 7.693 local terms energy: -286.596888 where: bonds (distance) C4'-P energy: -52.335 bonds (distance) P-C4' energy: -55.523 flat angles C4'-P-C4' energy: -64.206 flat angles P-C4'-P energy: -39.654 tors. eta vs tors. theta energy: -74.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -781.465561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.465561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.465561 (E_RNA) where: Base-Base interactions energy: -529.776 where: short stacking energy: -241.025 Base-Backbone interact. energy: -1.998 local terms energy: -249.690994 where: bonds (distance) C4'-P energy: -48.595 bonds (distance) P-C4' energy: -51.126 flat angles C4'-P-C4' energy: -52.373 flat angles P-C4'-P energy: -36.960 tors. eta vs tors. theta energy: -60.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -653.767989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.767989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.767989 (E_RNA) where: Base-Base interactions energy: -403.554 where: short stacking energy: -202.619 Base-Backbone interact. energy: -1.351 local terms energy: -248.862761 where: bonds (distance) C4'-P energy: -45.551 bonds (distance) P-C4' energy: -58.067 flat angles C4'-P-C4' energy: -59.447 flat angles P-C4'-P energy: -38.764 tors. eta vs tors. theta energy: -47.033 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: 6 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -633.216319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.216319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.216319 (E_RNA) where: Base-Base interactions energy: -396.690 where: short stacking energy: -178.137 Base-Backbone interact. energy: -2.228 local terms energy: -234.298026 where: bonds (distance) C4'-P energy: -43.744 bonds (distance) P-C4' energy: -61.933 flat angles C4'-P-C4' energy: -49.811 flat angles P-C4'-P energy: -38.779 tors. eta vs tors. theta energy: -40.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -342.585338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.585338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.585338 (E_RNA) where: Base-Base interactions energy: -147.050 where: short stacking energy: -97.580 Base-Backbone interact. energy: -1.168 local terms energy: -194.368259 where: bonds (distance) C4'-P energy: -48.448 bonds (distance) P-C4' energy: -48.076 flat angles C4'-P-C4' energy: -63.365 flat angles P-C4'-P energy: -27.401 tors. eta vs tors. theta energy: -7.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -251.495986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -251.495986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -251.495986 (E_RNA) where: Base-Base interactions energy: -96.728 where: short stacking energy: -78.370 Base-Backbone interact. energy: -0.724 local terms energy: -154.043216 where: bonds (distance) C4'-P energy: -50.181 bonds (distance) P-C4' energy: -57.319 flat angles C4'-P-C4' energy: -39.970 flat angles P-C4'-P energy: -22.667 tors. eta vs tors. theta energy: 16.094 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: 1, replica: 9 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -1109.321299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.321299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.321299 (E_RNA) where: Base-Base interactions energy: -777.778 where: short stacking energy: -319.396 Base-Backbone interact. energy: -0.649 local terms energy: -330.894489 where: bonds (distance) C4'-P energy: -61.122 bonds (distance) P-C4' energy: -60.847 flat angles C4'-P-C4' energy: -69.807 flat angles P-C4'-P energy: -42.464 tors. eta vs tors. theta energy: -96.654 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: 2, replica: 3 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -1057.602466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.602466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.602466 (E_RNA) where: Base-Base interactions energy: -706.073 where: short stacking energy: -305.280 Base-Backbone interact. energy: -1.086 local terms energy: -350.443319 where: bonds (distance) C4'-P energy: -64.339 bonds (distance) P-C4' energy: -71.590 flat angles C4'-P-C4' energy: -72.743 flat angles P-C4'-P energy: -47.332 tors. eta vs tors. theta energy: -94.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -984.074051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.074051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.074051 (E_RNA) where: Base-Base interactions energy: -682.937 where: short stacking energy: -281.451 Base-Backbone interact. energy: 0.375 local terms energy: -301.511501 where: bonds (distance) C4'-P energy: -56.744 bonds (distance) P-C4' energy: -61.968 flat angles C4'-P-C4' energy: -65.268 flat angles P-C4'-P energy: -39.954 tors. eta vs tors. theta energy: -77.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -984.580757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.580757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.580757 (E_RNA) where: Base-Base interactions energy: -655.323 where: short stacking energy: -279.265 Base-Backbone interact. energy: -0.964 local terms energy: -328.294311 where: bonds (distance) C4'-P energy: -65.429 bonds (distance) P-C4' energy: -65.805 flat angles C4'-P-C4' energy: -71.596 flat angles P-C4'-P energy: -40.349 tors. eta vs tors. theta energy: -85.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -921.207710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.207710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.207710 (E_RNA) where: Base-Base interactions energy: -626.270 where: short stacking energy: -264.218 Base-Backbone interact. energy: -1.011 local terms energy: -293.926741 where: bonds (distance) C4'-P energy: -64.186 bonds (distance) P-C4' energy: -51.220 flat angles C4'-P-C4' energy: -61.029 flat angles P-C4'-P energy: -36.934 tors. eta vs tors. theta energy: -80.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -812.609089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.609089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.609089 (E_RNA) where: Base-Base interactions energy: -520.485 where: short stacking energy: -242.339 Base-Backbone interact. energy: -3.614 local terms energy: -288.510423 where: bonds (distance) C4'-P energy: -56.886 bonds (distance) P-C4' energy: -59.404 flat angles C4'-P-C4' energy: -56.532 flat angles P-C4'-P energy: -42.044 tors. eta vs tors. theta energy: -73.645 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: 8 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -661.518028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.518028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.518028 (E_RNA) where: Base-Base interactions energy: -428.881 where: short stacking energy: -218.165 Base-Backbone interact. energy: -0.720 local terms energy: -231.916869 where: bonds (distance) C4'-P energy: -47.327 bonds (distance) P-C4' energy: -48.627 flat angles C4'-P-C4' energy: -54.202 flat angles P-C4'-P energy: -30.515 tors. eta vs tors. theta energy: -51.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -653.128348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.128348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.128348 (E_RNA) where: Base-Base interactions energy: -400.752 where: short stacking energy: -182.964 Base-Backbone interact. energy: 1.337 local terms energy: -253.713623 where: bonds (distance) C4'-P energy: -54.788 bonds (distance) P-C4' energy: -59.179 flat angles C4'-P-C4' energy: -50.949 flat angles P-C4'-P energy: -39.200 tors. eta vs tors. theta energy: -49.598 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: 9, replica: 10 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -401.450510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.450510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.450510 (E_RNA) where: Base-Base interactions energy: -196.928 where: short stacking energy: -123.604 Base-Backbone interact. energy: 0.634 local terms energy: -205.156713 where: bonds (distance) C4'-P energy: -51.684 bonds (distance) P-C4' energy: -60.565 flat angles C4'-P-C4' energy: -60.250 flat angles P-C4'-P energy: -14.543 tors. eta vs tors. theta energy: -18.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -260.064856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.064856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.064856 (E_RNA) where: Base-Base interactions energy: -95.365 where: short stacking energy: -83.675 Base-Backbone interact. energy: 1.197 local terms energy: -165.897784 where: bonds (distance) C4'-P energy: -51.041 bonds (distance) P-C4' energy: -50.567 flat angles C4'-P-C4' energy: -47.677 flat angles P-C4'-P energy: -26.015 tors. eta vs tors. theta energy: 9.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -1098.278190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.278190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.278190 (E_RNA) where: Base-Base interactions energy: -737.008 where: short stacking energy: -343.201 Base-Backbone interact. energy: -0.257 local terms energy: -361.013164 where: bonds (distance) C4'-P energy: -64.503 bonds (distance) P-C4' energy: -72.813 flat angles C4'-P-C4' energy: -67.562 flat angles P-C4'-P energy: -50.687 tors. eta vs tors. theta energy: -105.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -1099.653233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.653233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.653233 (E_RNA) where: Base-Base interactions energy: -765.545 where: short stacking energy: -320.286 Base-Backbone interact. energy: -2.968 local terms energy: -331.140728 where: bonds (distance) C4'-P energy: -60.620 bonds (distance) P-C4' energy: -59.750 flat angles C4'-P-C4' energy: -73.759 flat angles P-C4'-P energy: -43.388 tors. eta vs tors. theta energy: -93.623 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: 7 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -989.079939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.079939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.079939 (E_RNA) where: Base-Base interactions energy: -668.898 where: short stacking energy: -283.073 Base-Backbone interact. energy: -1.814 local terms energy: -318.367308 where: bonds (distance) C4'-P energy: -56.056 bonds (distance) P-C4' energy: -66.489 flat angles C4'-P-C4' energy: -65.098 flat angles P-C4'-P energy: -44.089 tors. eta vs tors. theta energy: -86.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -996.529914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.529914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.529914 (E_RNA) where: Base-Base interactions energy: -677.569 where: short stacking energy: -288.573 Base-Backbone interact. energy: -1.574 local terms energy: -317.386928 where: bonds (distance) C4'-P energy: -60.130 bonds (distance) P-C4' energy: -57.967 flat angles C4'-P-C4' energy: -64.020 flat angles P-C4'-P energy: -42.206 tors. eta vs tors. theta energy: -93.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -898.213658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.213658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.213658 (E_RNA) where: Base-Base interactions energy: -584.665 where: short stacking energy: -269.935 Base-Backbone interact. energy: -2.552 local terms energy: -310.997074 where: bonds (distance) C4'-P energy: -56.169 bonds (distance) P-C4' energy: -59.447 flat angles C4'-P-C4' energy: -64.026 flat angles P-C4'-P energy: -46.655 tors. eta vs tors. theta energy: -84.700 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: 1 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -817.653975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.653975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.653975 (E_RNA) where: Base-Base interactions energy: -545.658 where: short stacking energy: -235.333 Base-Backbone interact. energy: -1.831 local terms energy: -270.165666 where: bonds (distance) C4'-P energy: -49.904 bonds (distance) P-C4' energy: -55.481 flat angles C4'-P-C4' energy: -63.105 flat angles P-C4'-P energy: -34.998 tors. eta vs tors. theta energy: -66.677 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: 8 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -654.727597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.727597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.727597 (E_RNA) where: Base-Base interactions energy: -419.603 where: short stacking energy: -202.806 Base-Backbone interact. energy: 1.064 local terms energy: -236.188668 where: bonds (distance) C4'-P energy: -42.806 bonds (distance) P-C4' energy: -57.522 flat angles C4'-P-C4' energy: -54.047 flat angles P-C4'-P energy: -41.306 tors. eta vs tors. theta energy: -40.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -604.414495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.414495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.414495 (E_RNA) where: Base-Base interactions energy: -367.763 where: short stacking energy: -156.493 Base-Backbone interact. energy: -1.358 local terms energy: -235.292714 where: bonds (distance) C4'-P energy: -49.934 bonds (distance) P-C4' energy: -61.607 flat angles C4'-P-C4' energy: -49.096 flat angles P-C4'-P energy: -41.645 tors. eta vs tors. theta energy: -33.012 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: 9, replica: 10 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -374.757543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.757543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.757543 (E_RNA) where: Base-Base interactions energy: -178.831 where: short stacking energy: -109.571 Base-Backbone interact. energy: 2.539 local terms energy: -198.465452 where: bonds (distance) C4'-P energy: -49.493 bonds (distance) P-C4' energy: -58.338 flat angles C4'-P-C4' energy: -42.949 flat angles P-C4'-P energy: -35.034 tors. eta vs tors. theta energy: -12.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -267.856029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.856029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.856029 (E_RNA) where: Base-Base interactions energy: -87.161 where: short stacking energy: -64.936 Base-Backbone interact. energy: -1.096 local terms energy: -179.598740 where: bonds (distance) C4'-P energy: -54.441 bonds (distance) P-C4' energy: -62.915 flat angles C4'-P-C4' energy: -48.501 flat angles P-C4'-P energy: -37.384 tors. eta vs tors. theta energy: 23.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -1093.350354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.350354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.350354 (E_RNA) where: Base-Base interactions energy: -740.261 where: short stacking energy: -347.999 Base-Backbone interact. energy: -1.020 local terms energy: -352.069257 where: bonds (distance) C4'-P energy: -57.819 bonds (distance) P-C4' energy: -65.395 flat angles C4'-P-C4' energy: -70.475 flat angles P-C4'-P energy: -47.273 tors. eta vs tors. theta energy: -111.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -1070.592487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.592487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.592487 (E_RNA) where: Base-Base interactions energy: -723.129 where: short stacking energy: -306.972 Base-Backbone interact. energy: -0.880 local terms energy: -346.583727 where: bonds (distance) C4'-P energy: -70.228 bonds (distance) P-C4' energy: -66.367 flat angles C4'-P-C4' energy: -67.430 flat angles P-C4'-P energy: -50.911 tors. eta vs tors. theta energy: -91.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -987.084154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.084154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.084154 (E_RNA) where: Base-Base interactions energy: -670.313 where: short stacking energy: -284.706 Base-Backbone interact. energy: -3.109 local terms energy: -313.661502 where: bonds (distance) C4'-P energy: -55.932 bonds (distance) P-C4' energy: -63.727 flat angles C4'-P-C4' energy: -66.957 flat angles P-C4'-P energy: -39.092 tors. eta vs tors. theta energy: -87.954 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: 5 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -974.342069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.342069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.342069 (E_RNA) where: Base-Base interactions energy: -657.647 where: short stacking energy: -298.226 Base-Backbone interact. energy: -1.227 local terms energy: -315.467184 where: bonds (distance) C4'-P energy: -62.517 bonds (distance) P-C4' energy: -53.425 flat angles C4'-P-C4' energy: -67.355 flat angles P-C4'-P energy: -46.789 tors. eta vs tors. theta energy: -85.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -912.344422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.344422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.344422 (E_RNA) where: Base-Base interactions energy: -601.988 where: short stacking energy: -270.658 Base-Backbone interact. energy: 1.718 local terms energy: -312.074232 where: bonds (distance) C4'-P energy: -68.365 bonds (distance) P-C4' energy: -55.856 flat angles C4'-P-C4' energy: -60.654 flat angles P-C4'-P energy: -48.907 tors. eta vs tors. theta energy: -78.293 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: 1 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -840.285824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.285824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.285824 (E_RNA) where: Base-Base interactions energy: -556.893 where: short stacking energy: -249.164 Base-Backbone interact. energy: -2.168 local terms energy: -281.225329 where: bonds (distance) C4'-P energy: -46.557 bonds (distance) P-C4' energy: -58.330 flat angles C4'-P-C4' energy: -65.665 flat angles P-C4'-P energy: -42.236 tors. eta vs tors. theta energy: -68.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -648.183096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.183096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.183096 (E_RNA) where: Base-Base interactions energy: -410.740 where: short stacking energy: -201.959 Base-Backbone interact. energy: 1.699 local terms energy: -239.141426 where: bonds (distance) C4'-P energy: -71.611 bonds (distance) P-C4' energy: -51.426 flat angles C4'-P-C4' energy: -44.669 flat angles P-C4'-P energy: -35.171 tors. eta vs tors. theta energy: -36.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -603.465096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.465096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.465096 (E_RNA) where: Base-Base interactions energy: -379.568 where: short stacking energy: -170.254 Base-Backbone interact. energy: -0.834 local terms energy: -223.063815 where: bonds (distance) C4'-P energy: -54.143 bonds (distance) P-C4' energy: -53.725 flat angles C4'-P-C4' energy: -57.367 flat angles P-C4'-P energy: -25.388 tors. eta vs tors. theta energy: -32.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -343.011052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.011052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.011052 (E_RNA) where: Base-Base interactions energy: -171.873 where: short stacking energy: -115.317 Base-Backbone interact. energy: -1.028 local terms energy: -170.109578 where: bonds (distance) C4'-P energy: -45.352 bonds (distance) P-C4' energy: -59.451 flat angles C4'-P-C4' energy: -50.625 flat angles P-C4'-P energy: -27.446 tors. eta vs tors. theta energy: 12.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -296.468356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.468356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.468356 (E_RNA) where: Base-Base interactions energy: -128.392 where: short stacking energy: -89.774 Base-Backbone interact. energy: 0.873 local terms energy: -168.949368 where: bonds (distance) C4'-P energy: -50.683 bonds (distance) P-C4' energy: -50.632 flat angles C4'-P-C4' energy: -46.500 flat angles P-C4'-P energy: -24.081 tors. eta vs tors. theta energy: 2.946 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: 9 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -1106.706439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.706439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.706439 (E_RNA) where: Base-Base interactions energy: -763.371 where: short stacking energy: -318.702 Base-Backbone interact. energy: -0.803 local terms energy: -342.531829 where: bonds (distance) C4'-P energy: -77.119 bonds (distance) P-C4' energy: -64.415 flat angles C4'-P-C4' energy: -64.159 flat angles P-C4'-P energy: -46.049 tors. eta vs tors. theta energy: -90.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -1082.439408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.439408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.439408 (E_RNA) where: Base-Base interactions energy: -728.356 where: short stacking energy: -335.822 Base-Backbone interact. energy: -1.993 local terms energy: -352.090878 where: bonds (distance) C4'-P energy: -54.017 bonds (distance) P-C4' energy: -72.215 flat angles C4'-P-C4' energy: -75.004 flat angles P-C4'-P energy: -51.189 tors. eta vs tors. theta energy: -99.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -1024.851333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.851333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.851333 (E_RNA) where: Base-Base interactions energy: -677.659 where: short stacking energy: -300.351 Base-Backbone interact. energy: -3.093 local terms energy: -344.099556 where: bonds (distance) C4'-P energy: -60.108 bonds (distance) P-C4' energy: -61.096 flat angles C4'-P-C4' energy: -75.403 flat angles P-C4'-P energy: -57.711 tors. eta vs tors. theta energy: -89.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -974.486508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.486508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.486508 (E_RNA) where: Base-Base interactions energy: -666.993 where: short stacking energy: -284.898 Base-Backbone interact. energy: -0.761 local terms energy: -306.732581 where: bonds (distance) C4'-P energy: -52.438 bonds (distance) P-C4' energy: -58.663 flat angles C4'-P-C4' energy: -62.113 flat angles P-C4'-P energy: -48.047 tors. eta vs tors. theta energy: -85.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -890.454593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.454593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.454593 (E_RNA) where: Base-Base interactions energy: -613.101 where: short stacking energy: -271.348 Base-Backbone interact. energy: -0.808 local terms energy: -276.546258 where: bonds (distance) C4'-P energy: -40.874 bonds (distance) P-C4' energy: -55.390 flat angles C4'-P-C4' energy: -67.891 flat angles P-C4'-P energy: -36.034 tors. eta vs tors. theta energy: -76.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -843.838154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.838154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.838154 (E_RNA) where: Base-Base interactions energy: -558.440 where: short stacking energy: -238.179 Base-Backbone interact. energy: -0.399 local terms energy: -284.998389 where: bonds (distance) C4'-P energy: -63.383 bonds (distance) P-C4' energy: -50.802 flat angles C4'-P-C4' energy: -61.013 flat angles P-C4'-P energy: -41.344 tors. eta vs tors. theta energy: -68.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -641.927029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.927029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.927029 (E_RNA) where: Base-Base interactions energy: -405.450 where: short stacking energy: -205.133 Base-Backbone interact. energy: 2.271 local terms energy: -238.748576 where: bonds (distance) C4'-P energy: -51.414 bonds (distance) P-C4' energy: -51.321 flat angles C4'-P-C4' energy: -54.371 flat angles P-C4'-P energy: -38.110 tors. eta vs tors. theta energy: -43.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -609.888544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.888544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.888544 (E_RNA) where: Base-Base interactions energy: -376.985 where: short stacking energy: -171.622 Base-Backbone interact. energy: -1.282 local terms energy: -231.622115 where: bonds (distance) C4'-P energy: -40.969 bonds (distance) P-C4' energy: -61.417 flat angles C4'-P-C4' energy: -48.173 flat angles P-C4'-P energy: -33.242 tors. eta vs tors. theta energy: -47.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -344.954898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.954898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.954898 (E_RNA) where: Base-Base interactions energy: -172.810 where: short stacking energy: -104.416 Base-Backbone interact. energy: -0.758 local terms energy: -171.386445 where: bonds (distance) C4'-P energy: -42.166 bonds (distance) P-C4' energy: -51.207 flat angles C4'-P-C4' energy: -46.877 flat angles P-C4'-P energy: -24.639 tors. eta vs tors. theta energy: -6.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -298.794338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.794338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.794338 (E_RNA) where: Base-Base interactions energy: -137.219 where: short stacking energy: -72.337 Base-Backbone interact. energy: -0.080 local terms energy: -161.495296 where: bonds (distance) C4'-P energy: -52.524 bonds (distance) P-C4' energy: -46.018 flat angles C4'-P-C4' energy: -44.565 flat angles P-C4'-P energy: -19.692 tors. eta vs tors. theta energy: 1.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -1103.780326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.780326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.780326 (E_RNA) where: Base-Base interactions energy: -765.125 where: short stacking energy: -318.890 Base-Backbone interact. energy: -1.943 local terms energy: -336.712279 where: bonds (distance) C4'-P energy: -54.858 bonds (distance) P-C4' energy: -66.317 flat angles C4'-P-C4' energy: -71.997 flat angles P-C4'-P energy: -51.381 tors. eta vs tors. theta energy: -92.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -1078.850956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.850956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.850956 (E_RNA) where: Base-Base interactions energy: -736.031 where: short stacking energy: -324.905 Base-Backbone interact. energy: -2.384 local terms energy: -340.435740 where: bonds (distance) C4'-P energy: -57.661 bonds (distance) P-C4' energy: -62.145 flat angles C4'-P-C4' energy: -71.703 flat angles P-C4'-P energy: -49.949 tors. eta vs tors. theta energy: -98.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -1020.797607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.797607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.797607 (E_RNA) where: Base-Base interactions energy: -708.165 where: short stacking energy: -302.298 Base-Backbone interact. energy: -0.850 local terms energy: -311.783340 where: bonds (distance) C4'-P energy: -44.840 bonds (distance) P-C4' energy: -66.136 flat angles C4'-P-C4' energy: -69.381 flat angles P-C4'-P energy: -47.235 tors. eta vs tors. theta energy: -84.193 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: 4, replica: 7 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -988.844368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.844368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.844368 (E_RNA) where: Base-Base interactions energy: -673.487 where: short stacking energy: -295.028 Base-Backbone interact. energy: -0.273 local terms energy: -315.084554 where: bonds (distance) C4'-P energy: -64.691 bonds (distance) P-C4' energy: -60.446 flat angles C4'-P-C4' energy: -61.384 flat angles P-C4'-P energy: -44.094 tors. eta vs tors. theta energy: -84.469 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: 2 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -911.464937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.464937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.464937 (E_RNA) where: Base-Base interactions energy: -629.014 where: short stacking energy: -260.368 Base-Backbone interact. energy: 2.138 local terms energy: -284.588781 where: bonds (distance) C4'-P energy: -51.540 bonds (distance) P-C4' energy: -52.371 flat angles C4'-P-C4' energy: -59.276 flat angles P-C4'-P energy: -46.326 tors. eta vs tors. theta energy: -75.075 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: 1 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -872.056912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.056912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.056912 (E_RNA) where: Base-Base interactions energy: -586.311 where: short stacking energy: -252.587 Base-Backbone interact. energy: 0.246 local terms energy: -285.992092 where: bonds (distance) C4'-P energy: -57.454 bonds (distance) P-C4' energy: -68.717 flat angles C4'-P-C4' energy: -62.543 flat angles P-C4'-P energy: -28.447 tors. eta vs tors. theta energy: -68.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -683.653400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.653400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.653400 (E_RNA) where: Base-Base interactions energy: -412.279 where: short stacking energy: -191.070 Base-Backbone interact. energy: -1.433 local terms energy: -269.941814 where: bonds (distance) C4'-P energy: -59.459 bonds (distance) P-C4' energy: -57.939 flat angles C4'-P-C4' energy: -67.062 flat angles P-C4'-P energy: -37.601 tors. eta vs tors. theta energy: -47.881 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: 8, replica: 6 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -628.348333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.348333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.348333 (E_RNA) where: Base-Base interactions energy: -380.821 where: short stacking energy: -180.657 Base-Backbone interact. energy: -0.143 local terms energy: -247.383582 where: bonds (distance) C4'-P energy: -53.083 bonds (distance) P-C4' energy: -55.390 flat angles C4'-P-C4' energy: -62.531 flat angles P-C4'-P energy: -39.112 tors. eta vs tors. theta energy: -37.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -378.839937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.839937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.839937 (E_RNA) where: Base-Base interactions energy: -197.362 where: short stacking energy: -122.414 Base-Backbone interact. energy: -3.231 local terms energy: -178.246435 where: bonds (distance) C4'-P energy: -40.863 bonds (distance) P-C4' energy: -49.941 flat angles C4'-P-C4' energy: -36.769 flat angles P-C4'-P energy: -42.393 tors. eta vs tors. theta energy: -8.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -296.498463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.498463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.498463 (E_RNA) where: Base-Base interactions energy: -120.843 where: short stacking energy: -97.901 Base-Backbone interact. energy: 1.113 local terms energy: -176.768516 where: bonds (distance) C4'-P energy: -55.988 bonds (distance) P-C4' energy: -44.496 flat angles C4'-P-C4' energy: -48.634 flat angles P-C4'-P energy: -20.502 tors. eta vs tors. theta energy: -7.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -1073.718742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.718742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.718742 (E_RNA) where: Base-Base interactions energy: -734.675 where: short stacking energy: -328.721 Base-Backbone interact. energy: -1.060 local terms energy: -337.982933 where: bonds (distance) C4'-P energy: -59.823 bonds (distance) P-C4' energy: -63.957 flat angles C4'-P-C4' energy: -71.748 flat angles P-C4'-P energy: -42.184 tors. eta vs tors. theta energy: -100.270 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: 2, replica: 9 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -1081.001496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.001496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.001496 (E_RNA) where: Base-Base interactions energy: -743.018 where: short stacking energy: -303.252 Base-Backbone interact. energy: -3.522 local terms energy: -334.461507 where: bonds (distance) C4'-P energy: -64.752 bonds (distance) P-C4' energy: -60.404 flat angles C4'-P-C4' energy: -73.397 flat angles P-C4'-P energy: -43.742 tors. eta vs tors. theta energy: -92.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -1033.832493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.832493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.832493 (E_RNA) where: Base-Base interactions energy: -699.822 where: short stacking energy: -295.326 Base-Backbone interact. energy: -1.412 local terms energy: -332.598115 where: bonds (distance) C4'-P energy: -69.125 bonds (distance) P-C4' energy: -67.920 flat angles C4'-P-C4' energy: -70.018 flat angles P-C4'-P energy: -46.504 tors. eta vs tors. theta energy: -79.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -972.224481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.224481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.224481 (E_RNA) where: Base-Base interactions energy: -651.713 where: short stacking energy: -286.231 Base-Backbone interact. energy: -1.778 local terms energy: -318.733164 where: bonds (distance) C4'-P energy: -49.432 bonds (distance) P-C4' energy: -55.785 flat angles C4'-P-C4' energy: -68.043 flat angles P-C4'-P energy: -49.369 tors. eta vs tors. theta energy: -96.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -901.087527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.087527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.087527 (E_RNA) where: Base-Base interactions energy: -602.458 where: short stacking energy: -265.009 Base-Backbone interact. energy: -1.525 local terms energy: -297.104985 where: bonds (distance) C4'-P energy: -59.891 bonds (distance) P-C4' energy: -58.240 flat angles C4'-P-C4' energy: -68.022 flat angles P-C4'-P energy: -36.656 tors. eta vs tors. theta energy: -74.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -895.286603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.286603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.286603 (E_RNA) where: Base-Base interactions energy: -599.511 where: short stacking energy: -280.117 Base-Backbone interact. energy: 0.779 local terms energy: -296.554543 where: bonds (distance) C4'-P energy: -59.393 bonds (distance) P-C4' energy: -57.482 flat angles C4'-P-C4' energy: -58.954 flat angles P-C4'-P energy: -38.726 tors. eta vs tors. theta energy: -81.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -684.905470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.905470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.905470 (E_RNA) where: Base-Base interactions energy: -432.956 where: short stacking energy: -212.350 Base-Backbone interact. energy: -0.746 local terms energy: -251.203431 where: bonds (distance) C4'-P energy: -41.759 bonds (distance) P-C4' energy: -48.739 flat angles C4'-P-C4' energy: -64.934 flat angles P-C4'-P energy: -49.361 tors. eta vs tors. theta energy: -46.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -613.102836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.102836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.102836 (E_RNA) where: Base-Base interactions energy: -390.000 where: short stacking energy: -192.068 Base-Backbone interact. energy: 1.106 local terms energy: -224.209084 where: bonds (distance) C4'-P energy: -49.726 bonds (distance) P-C4' energy: -44.815 flat angles C4'-P-C4' energy: -63.154 flat angles P-C4'-P energy: -40.092 tors. eta vs tors. theta energy: -26.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -286.235355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.235355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.235355 (E_RNA) where: Base-Base interactions energy: -94.362 where: short stacking energy: -68.888 Base-Backbone interact. energy: -0.958 local terms energy: -190.915519 where: bonds (distance) C4'-P energy: -63.310 bonds (distance) P-C4' energy: -56.565 flat angles C4'-P-C4' energy: -42.063 flat angles P-C4'-P energy: -24.452 tors. eta vs tors. theta energy: -4.526 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: 10 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -372.921789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.921789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.921789 (E_RNA) where: Base-Base interactions energy: -183.440 where: short stacking energy: -98.738 Base-Backbone interact. energy: -2.286 local terms energy: -187.195570 where: bonds (distance) C4'-P energy: -45.548 bonds (distance) P-C4' energy: -59.214 flat angles C4'-P-C4' energy: -37.298 flat angles P-C4'-P energy: -25.786 tors. eta vs tors. theta energy: -19.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -1076.670341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.670341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.670341 (E_RNA) where: Base-Base interactions energy: -727.959 where: short stacking energy: -313.733 Base-Backbone interact. energy: -1.447 local terms energy: -347.265065 where: bonds (distance) C4'-P energy: -60.922 bonds (distance) P-C4' energy: -71.733 flat angles C4'-P-C4' energy: -73.848 flat angles P-C4'-P energy: -44.375 tors. eta vs tors. theta energy: -96.387 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: 9 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -1070.650285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.650285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.650285 (E_RNA) where: Base-Base interactions energy: -741.094 where: short stacking energy: -311.829 Base-Backbone interact. energy: -0.991 local terms energy: -328.564921 where: bonds (distance) C4'-P energy: -61.717 bonds (distance) P-C4' energy: -62.121 flat angles C4'-P-C4' energy: -67.830 flat angles P-C4'-P energy: -40.217 tors. eta vs tors. theta energy: -96.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -1038.400845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.400845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.400845 (E_RNA) where: Base-Base interactions energy: -703.024 where: short stacking energy: -318.718 Base-Backbone interact. energy: 0.866 local terms energy: -336.242664 where: bonds (distance) C4'-P energy: -71.223 bonds (distance) P-C4' energy: -69.411 flat angles C4'-P-C4' energy: -70.615 flat angles P-C4'-P energy: -33.345 tors. eta vs tors. theta energy: -91.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -971.269887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.269887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.269887 (E_RNA) where: Base-Base interactions energy: -666.596 where: short stacking energy: -294.784 Base-Backbone interact. energy: -1.358 local terms energy: -303.316113 where: bonds (distance) C4'-P energy: -62.117 bonds (distance) P-C4' energy: -52.390 flat angles C4'-P-C4' energy: -61.708 flat angles P-C4'-P energy: -38.323 tors. eta vs tors. theta energy: -88.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -890.891930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.891930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.891930 (E_RNA) where: Base-Base interactions energy: -597.642 where: short stacking energy: -261.809 Base-Backbone interact. energy: -1.945 local terms energy: -291.305490 where: bonds (distance) C4'-P energy: -57.707 bonds (distance) P-C4' energy: -55.829 flat angles C4'-P-C4' energy: -66.855 flat angles P-C4'-P energy: -34.426 tors. eta vs tors. theta energy: -76.489 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: 6, replica: 2 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -898.881381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.881381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.881381 (E_RNA) where: Base-Base interactions energy: -594.730 where: short stacking energy: -257.438 Base-Backbone interact. energy: -1.305 local terms energy: -302.846459 where: bonds (distance) C4'-P energy: -58.210 bonds (distance) P-C4' energy: -54.854 flat angles C4'-P-C4' energy: -64.938 flat angles P-C4'-P energy: -42.770 tors. eta vs tors. theta energy: -82.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -659.702752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.702752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.702752 (E_RNA) where: Base-Base interactions energy: -395.126 where: short stacking energy: -217.471 Base-Backbone interact. energy: 0.952 local terms energy: -265.528503 where: bonds (distance) C4'-P energy: -50.448 bonds (distance) P-C4' energy: -53.885 flat angles C4'-P-C4' energy: -57.748 flat angles P-C4'-P energy: -45.716 tors. eta vs tors. theta energy: -57.731 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: 6 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -611.842017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.842017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.842017 (E_RNA) where: Base-Base interactions energy: -372.267 where: short stacking energy: -178.473 Base-Backbone interact. energy: 0.159 local terms energy: -239.734148 where: bonds (distance) C4'-P energy: -59.464 bonds (distance) P-C4' energy: -54.771 flat angles C4'-P-C4' energy: -57.288 flat angles P-C4'-P energy: -43.732 tors. eta vs tors. theta energy: -24.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -309.648619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.648619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.648619 (E_RNA) where: Base-Base interactions energy: -124.398 where: short stacking energy: -100.565 Base-Backbone interact. energy: 3.006 local terms energy: -188.256348 where: bonds (distance) C4'-P energy: -42.264 bonds (distance) P-C4' energy: -60.663 flat angles C4'-P-C4' energy: -51.312 flat angles P-C4'-P energy: -30.093 tors. eta vs tors. theta energy: -3.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -351.994103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.994103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.994103 (E_RNA) where: Base-Base interactions energy: -173.506 where: short stacking energy: -88.491 Base-Backbone interact. energy: 1.335 local terms energy: -179.823583 where: bonds (distance) C4'-P energy: -53.151 bonds (distance) P-C4' energy: -57.013 flat angles C4'-P-C4' energy: -40.408 flat angles P-C4'-P energy: -34.085 tors. eta vs tors. theta energy: 4.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -1107.021716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.021716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.021716 (E_RNA) where: Base-Base interactions energy: -749.834 where: short stacking energy: -347.793 Base-Backbone interact. energy: -1.041 local terms energy: -356.147269 where: bonds (distance) C4'-P energy: -60.384 bonds (distance) P-C4' energy: -68.363 flat angles C4'-P-C4' energy: -72.995 flat angles P-C4'-P energy: -55.728 tors. eta vs tors. theta energy: -98.677 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: 2, replica: 9 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -1063.029834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.029834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.029834 (E_RNA) where: Base-Base interactions energy: -722.429 where: short stacking energy: -314.736 Base-Backbone interact. energy: -1.063 local terms energy: -339.538316 where: bonds (distance) C4'-P energy: -67.451 bonds (distance) P-C4' energy: -60.154 flat angles C4'-P-C4' energy: -69.885 flat angles P-C4'-P energy: -47.938 tors. eta vs tors. theta energy: -94.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -1050.330917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.330917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.330917 (E_RNA) where: Base-Base interactions energy: -721.877 where: short stacking energy: -318.078 Base-Backbone interact. energy: 6.400 local terms energy: -334.854529 where: bonds (distance) C4'-P energy: -57.840 bonds (distance) P-C4' energy: -60.498 flat angles C4'-P-C4' energy: -71.035 flat angles P-C4'-P energy: -44.227 tors. eta vs tors. theta energy: -101.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -973.372763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.372763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.372763 (E_RNA) where: Base-Base interactions energy: -652.552 where: short stacking energy: -277.117 Base-Backbone interact. energy: -1.243 local terms energy: -319.577756 where: bonds (distance) C4'-P energy: -54.508 bonds (distance) P-C4' energy: -72.156 flat angles C4'-P-C4' energy: -66.074 flat angles P-C4'-P energy: -41.860 tors. eta vs tors. theta energy: -84.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -918.644144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.644144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.644144 (E_RNA) where: Base-Base interactions energy: -625.871 where: short stacking energy: -284.271 Base-Backbone interact. energy: -2.090 local terms energy: -290.683200 where: bonds (distance) C4'-P energy: -52.818 bonds (distance) P-C4' energy: -54.095 flat angles C4'-P-C4' energy: -56.493 flat angles P-C4'-P energy: -43.165 tors. eta vs tors. theta energy: -84.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -864.911836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.911836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.911836 (E_RNA) where: Base-Base interactions energy: -575.405 where: short stacking energy: -263.405 Base-Backbone interact. energy: -2.408 local terms energy: -287.099233 where: bonds (distance) C4'-P energy: -60.262 bonds (distance) P-C4' energy: -60.809 flat angles C4'-P-C4' energy: -51.685 flat angles P-C4'-P energy: -43.763 tors. eta vs tors. theta energy: -70.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -624.815646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.815646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.815646 (E_RNA) where: Base-Base interactions energy: -395.140 where: short stacking energy: -170.768 Base-Backbone interact. energy: 0.341 local terms energy: -230.017322 where: bonds (distance) C4'-P energy: -48.561 bonds (distance) P-C4' energy: -62.655 flat angles C4'-P-C4' energy: -50.670 flat angles P-C4'-P energy: -38.935 tors. eta vs tors. theta energy: -29.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -628.926469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.926469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.926469 (E_RNA) where: Base-Base interactions energy: -402.796 where: short stacking energy: -177.385 Base-Backbone interact. energy: -0.863 local terms energy: -225.268178 where: bonds (distance) C4'-P energy: -46.323 bonds (distance) P-C4' energy: -52.336 flat angles C4'-P-C4' energy: -61.267 flat angles P-C4'-P energy: -29.497 tors. eta vs tors. theta energy: -35.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -289.871415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.871415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.871415 (E_RNA) where: Base-Base interactions energy: -105.498 where: short stacking energy: -104.438 Base-Backbone interact. energy: 2.136 local terms energy: -186.509371 where: bonds (distance) C4'-P energy: -58.657 bonds (distance) P-C4' energy: -46.740 flat angles C4'-P-C4' energy: -54.450 flat angles P-C4'-P energy: -23.209 tors. eta vs tors. theta energy: -3.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -315.668484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.668484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.668484 (E_RNA) where: Base-Base interactions energy: -139.340 where: short stacking energy: -95.372 Base-Backbone interact. energy: 0.217 local terms energy: -176.545317 where: bonds (distance) C4'-P energy: -46.452 bonds (distance) P-C4' energy: -48.857 flat angles C4'-P-C4' energy: -51.058 flat angles P-C4'-P energy: -31.229 tors. eta vs tors. theta energy: 1.050 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: 1, replica: 3 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -1103.463059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.463059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.463059 (E_RNA) where: Base-Base interactions energy: -751.497 where: short stacking energy: -337.958 Base-Backbone interact. energy: -1.777 local terms energy: -350.189054 where: bonds (distance) C4'-P energy: -67.896 bonds (distance) P-C4' energy: -55.429 flat angles C4'-P-C4' energy: -75.659 flat angles P-C4'-P energy: -49.954 tors. eta vs tors. theta energy: -101.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -1078.990648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.990648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.990648 (E_RNA) where: Base-Base interactions energy: -748.409 where: short stacking energy: -325.901 Base-Backbone interact. energy: -0.745 local terms energy: -329.836962 where: bonds (distance) C4'-P energy: -58.320 bonds (distance) P-C4' energy: -57.941 flat angles C4'-P-C4' energy: -67.512 flat angles P-C4'-P energy: -47.918 tors. eta vs tors. theta energy: -98.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -1036.027907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.027907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.027907 (E_RNA) where: Base-Base interactions energy: -720.250 where: short stacking energy: -326.191 Base-Backbone interact. energy: -0.656 local terms energy: -315.122216 where: bonds (distance) C4'-P energy: -50.269 bonds (distance) P-C4' energy: -56.643 flat angles C4'-P-C4' energy: -66.513 flat angles P-C4'-P energy: -48.681 tors. eta vs tors. theta energy: -93.016 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: 7 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -963.442657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.442657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.442657 (E_RNA) where: Base-Base interactions energy: -651.603 where: short stacking energy: -274.167 Base-Backbone interact. energy: 0.747 local terms energy: -312.587026 where: bonds (distance) C4'-P energy: -65.388 bonds (distance) P-C4' energy: -57.315 flat angles C4'-P-C4' energy: -72.481 flat angles P-C4'-P energy: -39.533 tors. eta vs tors. theta energy: -77.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -893.248078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.248078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.248078 (E_RNA) where: Base-Base interactions energy: -597.203 where: short stacking energy: -280.288 Base-Backbone interact. energy: 0.028 local terms energy: -296.073007 where: bonds (distance) C4'-P energy: -66.908 bonds (distance) P-C4' energy: -55.689 flat angles C4'-P-C4' energy: -62.421 flat angles P-C4'-P energy: -44.984 tors. eta vs tors. theta energy: -66.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -852.400565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.400565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.400565 (E_RNA) where: Base-Base interactions energy: -568.237 where: short stacking energy: -266.156 Base-Backbone interact. energy: -0.099 local terms energy: -284.064355 where: bonds (distance) C4'-P energy: -56.887 bonds (distance) P-C4' energy: -52.447 flat angles C4'-P-C4' energy: -67.448 flat angles P-C4'-P energy: -38.540 tors. eta vs tors. theta energy: -68.743 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: 6 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -631.640941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.640941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.640941 (E_RNA) where: Base-Base interactions energy: -406.809 where: short stacking energy: -192.406 Base-Backbone interact. energy: 4.976 local terms energy: -229.807974 where: bonds (distance) C4'-P energy: -42.199 bonds (distance) P-C4' energy: -50.715 flat angles C4'-P-C4' energy: -57.234 flat angles P-C4'-P energy: -43.877 tors. eta vs tors. theta energy: -35.783 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: 8 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -612.914533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.914533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.914533 (E_RNA) where: Base-Base interactions energy: -384.313 where: short stacking energy: -170.854 Base-Backbone interact. energy: -1.833 local terms energy: -226.768124 where: bonds (distance) C4'-P energy: -58.722 bonds (distance) P-C4' energy: -48.417 flat angles C4'-P-C4' energy: -53.775 flat angles P-C4'-P energy: -34.643 tors. eta vs tors. theta energy: -31.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -308.256295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.256295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.256295 (E_RNA) where: Base-Base interactions energy: -112.087 where: short stacking energy: -83.166 Base-Backbone interact. energy: 3.847 local terms energy: -200.015679 where: bonds (distance) C4'-P energy: -51.431 bonds (distance) P-C4' energy: -59.704 flat angles C4'-P-C4' energy: -47.922 flat angles P-C4'-P energy: -39.317 tors. eta vs tors. theta energy: -1.642 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: 10, replica: 10 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -322.530700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.530700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.530700 (E_RNA) where: Base-Base interactions energy: -142.852 where: short stacking energy: -93.743 Base-Backbone interact. energy: -1.590 local terms energy: -178.088048 where: bonds (distance) C4'-P energy: -47.859 bonds (distance) P-C4' energy: -63.869 flat angles C4'-P-C4' energy: -37.255 flat angles P-C4'-P energy: -21.359 tors. eta vs tors. theta energy: -7.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -1094.011397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.011397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.011397 (E_RNA) where: Base-Base interactions energy: -742.292 where: short stacking energy: -324.249 Base-Backbone interact. energy: -1.302 local terms energy: -350.417501 where: bonds (distance) C4'-P energy: -60.306 bonds (distance) P-C4' energy: -63.448 flat angles C4'-P-C4' energy: -74.796 flat angles P-C4'-P energy: -49.497 tors. eta vs tors. theta energy: -102.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -1087.559120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.559120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.559120 (E_RNA) where: Base-Base interactions energy: -743.797 where: short stacking energy: -308.802 Base-Backbone interact. energy: 0.077 local terms energy: -343.839206 where: bonds (distance) C4'-P energy: -62.107 bonds (distance) P-C4' energy: -66.346 flat angles C4'-P-C4' energy: -74.066 flat angles P-C4'-P energy: -52.685 tors. eta vs tors. theta energy: -88.635 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: 5 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -1033.462905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.462905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.462905 (E_RNA) where: Base-Base interactions energy: -714.131 where: short stacking energy: -331.596 Base-Backbone interact. energy: -0.600 local terms energy: -318.731083 where: bonds (distance) C4'-P energy: -60.361 bonds (distance) P-C4' energy: -54.480 flat angles C4'-P-C4' energy: -74.421 flat angles P-C4'-P energy: -41.031 tors. eta vs tors. theta energy: -88.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -968.525860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.525860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.525860 (E_RNA) where: Base-Base interactions energy: -650.336 where: short stacking energy: -279.617 Base-Backbone interact. energy: -2.181 local terms energy: -316.008465 where: bonds (distance) C4'-P energy: -54.910 bonds (distance) P-C4' energy: -69.410 flat angles C4'-P-C4' energy: -66.892 flat angles P-C4'-P energy: -40.285 tors. eta vs tors. theta energy: -84.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -886.090479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.090479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.090479 (E_RNA) where: Base-Base interactions energy: -598.821 where: short stacking energy: -247.364 Base-Backbone interact. energy: -0.380 local terms energy: -286.889756 where: bonds (distance) C4'-P energy: -50.082 bonds (distance) P-C4' energy: -52.633 flat angles C4'-P-C4' energy: -70.340 flat angles P-C4'-P energy: -44.092 tors. eta vs tors. theta energy: -69.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -867.542434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.542434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.542434 (E_RNA) where: Base-Base interactions energy: -561.650 where: short stacking energy: -278.070 Base-Backbone interact. energy: -0.244 local terms energy: -305.647931 where: bonds (distance) C4'-P energy: -56.231 bonds (distance) P-C4' energy: -70.136 flat angles C4'-P-C4' energy: -67.194 flat angles P-C4'-P energy: -31.261 tors. eta vs tors. theta energy: -80.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -645.256042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.256042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.256042 (E_RNA) where: Base-Base interactions energy: -406.062 where: short stacking energy: -203.026 Base-Backbone interact. energy: -1.075 local terms energy: -238.119761 where: bonds (distance) C4'-P energy: -50.566 bonds (distance) P-C4' energy: -54.201 flat angles C4'-P-C4' energy: -59.112 flat angles P-C4'-P energy: -33.217 tors. eta vs tors. theta energy: -41.023 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: 8, replica: 8 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -603.764922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.764922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.764922 (E_RNA) where: Base-Base interactions energy: -373.922 where: short stacking energy: -187.435 Base-Backbone interact. energy: -1.244 local terms energy: -228.599060 where: bonds (distance) C4'-P energy: -52.409 bonds (distance) P-C4' energy: -42.474 flat angles C4'-P-C4' energy: -57.866 flat angles P-C4'-P energy: -36.778 tors. eta vs tors. theta energy: -39.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -312.469062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.469062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.469062 (E_RNA) where: Base-Base interactions energy: -124.066 where: short stacking energy: -89.612 Base-Backbone interact. energy: -2.538 local terms energy: -185.864728 where: bonds (distance) C4'-P energy: -66.893 bonds (distance) P-C4' energy: -50.977 flat angles C4'-P-C4' energy: -41.698 flat angles P-C4'-P energy: -25.360 tors. eta vs tors. theta energy: -0.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -267.834160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.834160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.834160 (E_RNA) where: Base-Base interactions energy: -88.248 where: short stacking energy: -70.688 Base-Backbone interact. energy: 1.058 local terms energy: -180.644174 where: bonds (distance) C4'-P energy: -58.298 bonds (distance) P-C4' energy: -50.569 flat angles C4'-P-C4' energy: -47.491 flat angles P-C4'-P energy: -29.253 tors. eta vs tors. theta energy: 4.968 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: 3 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -1092.571424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.571424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.571424 (E_RNA) where: Base-Base interactions energy: -736.251 where: short stacking energy: -321.733 Base-Backbone interact. energy: 1.721 local terms energy: -358.040804 where: bonds (distance) C4'-P energy: -62.299 bonds (distance) P-C4' energy: -71.674 flat angles C4'-P-C4' energy: -71.549 flat angles P-C4'-P energy: -54.695 tors. eta vs tors. theta energy: -97.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -1069.540554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.540554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.540554 (E_RNA) where: Base-Base interactions energy: -733.546 where: short stacking energy: -315.216 Base-Backbone interact. energy: -1.883 local terms energy: -334.111720 where: bonds (distance) C4'-P energy: -68.231 bonds (distance) P-C4' energy: -56.297 flat angles C4'-P-C4' energy: -61.904 flat angles P-C4'-P energy: -53.577 tors. eta vs tors. theta energy: -94.103 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: 5 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -1049.453365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.453365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.453365 (E_RNA) where: Base-Base interactions energy: -740.364 where: short stacking energy: -314.517 Base-Backbone interact. energy: -0.814 local terms energy: -308.275707 where: bonds (distance) C4'-P energy: -45.202 bonds (distance) P-C4' energy: -64.454 flat angles C4'-P-C4' energy: -65.202 flat angles P-C4'-P energy: -45.578 tors. eta vs tors. theta energy: -87.839 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: 7 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -944.905668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.905668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.905668 (E_RNA) where: Base-Base interactions energy: -625.931 where: short stacking energy: -279.961 Base-Backbone interact. energy: -0.805 local terms energy: -318.169663 where: bonds (distance) C4'-P energy: -54.117 bonds (distance) P-C4' energy: -62.927 flat angles C4'-P-C4' energy: -64.175 flat angles P-C4'-P energy: -46.976 tors. eta vs tors. theta energy: -89.975 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: 1 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -930.389666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.389666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.389666 (E_RNA) where: Base-Base interactions energy: -653.657 where: short stacking energy: -303.460 Base-Backbone interact. energy: -0.978 local terms energy: -275.754624 where: bonds (distance) C4'-P energy: -45.930 bonds (distance) P-C4' energy: -46.900 flat angles C4'-P-C4' energy: -57.362 flat angles P-C4'-P energy: -37.533 tors. eta vs tors. theta energy: -88.029 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: 2 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -854.293345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.293345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.293345 (E_RNA) where: Base-Base interactions energy: -573.875 where: short stacking energy: -273.612 Base-Backbone interact. energy: 0.065 local terms energy: -280.483532 where: bonds (distance) C4'-P energy: -61.862 bonds (distance) P-C4' energy: -53.623 flat angles C4'-P-C4' energy: -57.434 flat angles P-C4'-P energy: -37.942 tors. eta vs tors. theta energy: -69.621 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: 6 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -661.904967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.904967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.904967 (E_RNA) where: Base-Base interactions energy: -408.347 where: short stacking energy: -206.473 Base-Backbone interact. energy: -0.976 local terms energy: -252.582165 where: bonds (distance) C4'-P energy: -57.838 bonds (distance) P-C4' energy: -49.858 flat angles C4'-P-C4' energy: -56.727 flat angles P-C4'-P energy: -39.829 tors. eta vs tors. theta energy: -48.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -592.924748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.924748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.924748 (E_RNA) where: Base-Base interactions energy: -362.919 where: short stacking energy: -172.276 Base-Backbone interact. energy: -1.200 local terms energy: -228.805666 where: bonds (distance) C4'-P energy: -50.620 bonds (distance) P-C4' energy: -61.169 flat angles C4'-P-C4' energy: -58.148 flat angles P-C4'-P energy: -32.818 tors. eta vs tors. theta energy: -26.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -326.164916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.164916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.164916 (E_RNA) where: Base-Base interactions energy: -122.955 where: short stacking energy: -77.757 Base-Backbone interact. energy: -2.226 local terms energy: -200.983819 where: bonds (distance) C4'-P energy: -45.954 bonds (distance) P-C4' energy: -64.126 flat angles C4'-P-C4' energy: -58.027 flat angles P-C4'-P energy: -41.375 tors. eta vs tors. theta energy: 8.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -254.770431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.770431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.770431 (E_RNA) where: Base-Base interactions energy: -91.082 where: short stacking energy: -61.912 Base-Backbone interact. energy: 0.110 local terms energy: -163.797870 where: bonds (distance) C4'-P energy: -57.054 bonds (distance) P-C4' energy: -54.316 flat angles C4'-P-C4' energy: -50.915 flat angles P-C4'-P energy: -14.855 tors. eta vs tors. theta energy: 13.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -1085.773652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.773652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.773652 (E_RNA) where: Base-Base interactions energy: -745.152 where: short stacking energy: -325.684 Base-Backbone interact. energy: 0.653 local terms energy: -341.275180 where: bonds (distance) C4'-P energy: -59.868 bonds (distance) P-C4' energy: -67.210 flat angles C4'-P-C4' energy: -75.974 flat angles P-C4'-P energy: -44.391 tors. eta vs tors. theta energy: -93.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -1063.395356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.395356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.395356 (E_RNA) where: Base-Base interactions energy: -736.201 where: short stacking energy: -311.774 Base-Backbone interact. energy: 0.417 local terms energy: -327.611475 where: bonds (distance) C4'-P energy: -62.989 bonds (distance) P-C4' energy: -53.688 flat angles C4'-P-C4' energy: -66.833 flat angles P-C4'-P energy: -51.429 tors. eta vs tors. theta energy: -92.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -1039.624552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.624552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.624552 (E_RNA) where: Base-Base interactions energy: -709.409 where: short stacking energy: -320.705 Base-Backbone interact. energy: 0.554 local terms energy: -330.769606 where: bonds (distance) C4'-P energy: -59.445 bonds (distance) P-C4' energy: -60.360 flat angles C4'-P-C4' energy: -70.097 flat angles P-C4'-P energy: -42.342 tors. eta vs tors. theta energy: -98.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -966.070926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.070926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.070926 (E_RNA) where: Base-Base interactions energy: -660.024 where: short stacking energy: -285.481 Base-Backbone interact. energy: -3.147 local terms energy: -302.900005 where: bonds (distance) C4'-P energy: -52.479 bonds (distance) P-C4' energy: -57.748 flat angles C4'-P-C4' energy: -66.842 flat angles P-C4'-P energy: -50.648 tors. eta vs tors. theta energy: -75.183 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: 1 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -912.038223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.038223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.038223 (E_RNA) where: Base-Base interactions energy: -604.118 where: short stacking energy: -248.263 Base-Backbone interact. energy: -1.618 local terms energy: -306.302265 where: bonds (distance) C4'-P energy: -47.089 bonds (distance) P-C4' energy: -65.564 flat angles C4'-P-C4' energy: -72.271 flat angles P-C4'-P energy: -42.147 tors. eta vs tors. theta energy: -79.231 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: 142 Temperature: 1.150000 Total energy: -848.752231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.752231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.752231 (E_RNA) where: Base-Base interactions energy: -553.008 where: short stacking energy: -244.359 Base-Backbone interact. energy: 1.069 local terms energy: -296.813725 where: bonds (distance) C4'-P energy: -71.138 bonds (distance) P-C4' energy: -46.947 flat angles C4'-P-C4' energy: -67.518 flat angles P-C4'-P energy: -46.431 tors. eta vs tors. theta energy: -64.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -649.439622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.439622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.439622 (E_RNA) where: Base-Base interactions energy: -408.859 where: short stacking energy: -189.292 Base-Backbone interact. energy: -1.065 local terms energy: -239.515808 where: bonds (distance) C4'-P energy: -54.950 bonds (distance) P-C4' energy: -62.280 flat angles C4'-P-C4' energy: -47.837 flat angles P-C4'-P energy: -33.374 tors. eta vs tors. theta energy: -41.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -636.891114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.891114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.891114 (E_RNA) where: Base-Base interactions energy: -397.294 where: short stacking energy: -188.754 Base-Backbone interact. energy: 3.575 local terms energy: -243.171544 where: bonds (distance) C4'-P energy: -46.567 bonds (distance) P-C4' energy: -59.215 flat angles C4'-P-C4' energy: -61.296 flat angles P-C4'-P energy: -33.556 tors. eta vs tors. theta energy: -42.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -318.797762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.797762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.797762 (E_RNA) where: Base-Base interactions energy: -130.722 where: short stacking energy: -100.062 Base-Backbone interact. energy: -0.063 local terms energy: -188.013012 where: bonds (distance) C4'-P energy: -56.501 bonds (distance) P-C4' energy: -62.001 flat angles C4'-P-C4' energy: -48.909 flat angles P-C4'-P energy: -27.762 tors. eta vs tors. theta energy: 7.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -271.773776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.773776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.773776 (E_RNA) where: Base-Base interactions energy: -102.877 where: short stacking energy: -79.045 Base-Backbone interact. energy: -2.802 local terms energy: -166.094478 where: bonds (distance) C4'-P energy: -50.809 bonds (distance) P-C4' energy: -46.947 flat angles C4'-P-C4' energy: -39.954 flat angles P-C4'-P energy: -29.127 tors. eta vs tors. theta energy: 0.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -1099.419743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.419743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.419743 (E_RNA) where: Base-Base interactions energy: -753.754 where: short stacking energy: -324.634 Base-Backbone interact. energy: -2.700 local terms energy: -342.965839 where: bonds (distance) C4'-P energy: -61.889 bonds (distance) P-C4' energy: -64.039 flat angles C4'-P-C4' energy: -75.769 flat angles P-C4'-P energy: -46.020 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: 2, replica: 5 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -1058.455445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.455445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.455445 (E_RNA) where: Base-Base interactions energy: -733.259 where: short stacking energy: -319.227 Base-Backbone interact. energy: 0.835 local terms energy: -326.032123 where: bonds (distance) C4'-P energy: -54.709 bonds (distance) P-C4' energy: -62.731 flat angles C4'-P-C4' energy: -70.674 flat angles P-C4'-P energy: -52.802 tors. eta vs tors. theta energy: -85.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -1066.679224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.679224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.679224 (E_RNA) where: Base-Base interactions energy: -732.627 where: short stacking energy: -306.930 Base-Backbone interact. energy: 1.762 local terms energy: -335.814028 where: bonds (distance) C4'-P energy: -65.924 bonds (distance) P-C4' energy: -62.638 flat angles C4'-P-C4' energy: -61.849 flat angles P-C4'-P energy: -52.241 tors. eta vs tors. theta energy: -93.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -964.571214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.571214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.571214 (E_RNA) where: Base-Base interactions energy: -646.989 where: short stacking energy: -289.203 Base-Backbone interact. energy: -1.058 local terms energy: -316.524187 where: bonds (distance) C4'-P energy: -47.390 bonds (distance) P-C4' energy: -69.326 flat angles C4'-P-C4' energy: -65.401 flat angles P-C4'-P energy: -45.293 tors. eta vs tors. theta energy: -89.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -948.656829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.656829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.656829 (E_RNA) where: Base-Base interactions energy: -646.236 where: short stacking energy: -297.698 Base-Backbone interact. energy: 1.462 local terms energy: -303.883454 where: bonds (distance) C4'-P energy: -57.043 bonds (distance) P-C4' energy: -53.125 flat angles C4'-P-C4' energy: -70.499 flat angles P-C4'-P energy: -38.892 tors. eta vs tors. theta energy: -84.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -822.207913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.207913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.207913 (E_RNA) where: Base-Base interactions energy: -560.768 where: short stacking energy: -251.050 Base-Backbone interact. energy: -0.138 local terms energy: -261.301777 where: bonds (distance) C4'-P energy: -37.886 bonds (distance) P-C4' energy: -56.713 flat angles C4'-P-C4' energy: -66.188 flat angles P-C4'-P energy: -38.814 tors. eta vs tors. theta energy: -61.701 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: 6 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -634.154414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.154414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.154414 (E_RNA) where: Base-Base interactions energy: -386.374 where: short stacking energy: -185.669 Base-Backbone interact. energy: -0.565 local terms energy: -247.215012 where: bonds (distance) C4'-P energy: -64.257 bonds (distance) P-C4' energy: -59.966 flat angles C4'-P-C4' energy: -52.407 flat angles P-C4'-P energy: -30.377 tors. eta vs tors. theta energy: -40.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -634.164870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.164870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.164870 (E_RNA) where: Base-Base interactions energy: -401.449 where: short stacking energy: -181.784 Base-Backbone interact. energy: 0.324 local terms energy: -233.039967 where: bonds (distance) C4'-P energy: -55.287 bonds (distance) P-C4' energy: -53.495 flat angles C4'-P-C4' energy: -49.214 flat angles P-C4'-P energy: -38.243 tors. eta vs tors. theta energy: -36.801 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: 4 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -333.230241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.230241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.230241 (E_RNA) where: Base-Base interactions energy: -131.840 where: short stacking energy: -92.988 Base-Backbone interact. energy: -0.213 local terms energy: -201.177300 where: bonds (distance) C4'-P energy: -60.066 bonds (distance) P-C4' energy: -60.425 flat angles C4'-P-C4' energy: -51.243 flat angles P-C4'-P energy: -29.455 tors. eta vs tors. theta energy: 0.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -254.553975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.553975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.553975 (E_RNA) where: Base-Base interactions energy: -79.318 where: short stacking energy: -58.258 Base-Backbone interact. energy: -2.370 local terms energy: -172.865676 where: bonds (distance) C4'-P energy: -59.258 bonds (distance) P-C4' energy: -50.576 flat angles C4'-P-C4' energy: -44.950 flat angles P-C4'-P energy: -28.627 tors. eta vs tors. theta energy: 10.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -1080.339895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.339895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.339895 (E_RNA) where: Base-Base interactions energy: -747.594 where: short stacking energy: -315.802 Base-Backbone interact. energy: 2.315 local terms energy: -335.060685 where: bonds (distance) C4'-P energy: -70.251 bonds (distance) P-C4' energy: -59.238 flat angles C4'-P-C4' energy: -64.866 flat angles P-C4'-P energy: -54.150 tors. eta vs tors. theta energy: -86.556 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: 9 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -1085.643511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.643511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.643511 (E_RNA) where: Base-Base interactions energy: -755.262 where: short stacking energy: -318.341 Base-Backbone interact. energy: -1.583 local terms energy: -328.798463 where: bonds (distance) C4'-P energy: -54.750 bonds (distance) P-C4' energy: -62.866 flat angles C4'-P-C4' energy: -69.009 flat angles P-C4'-P energy: -43.578 tors. eta vs tors. theta energy: -98.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -1045.645298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.645298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.645298 (E_RNA) where: Base-Base interactions energy: -720.015 where: short stacking energy: -322.975 Base-Backbone interact. energy: -1.174 local terms energy: -324.456208 where: bonds (distance) C4'-P energy: -53.670 bonds (distance) P-C4' energy: -56.872 flat angles C4'-P-C4' energy: -71.920 flat angles P-C4'-P energy: -48.975 tors. eta vs tors. theta energy: -93.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -982.299245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.299245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.299245 (E_RNA) where: Base-Base interactions energy: -667.929 where: short stacking energy: -279.644 Base-Backbone interact. energy: -1.684 local terms energy: -312.686160 where: bonds (distance) C4'-P energy: -60.876 bonds (distance) P-C4' energy: -64.606 flat angles C4'-P-C4' energy: -67.770 flat angles P-C4'-P energy: -39.623 tors. eta vs tors. theta energy: -79.811 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: 7 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -944.318312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.318312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.318312 (E_RNA) where: Base-Base interactions energy: -632.767 where: short stacking energy: -274.326 Base-Backbone interact. energy: -0.549 local terms energy: -311.002006 where: bonds (distance) C4'-P energy: -60.620 bonds (distance) P-C4' energy: -61.878 flat angles C4'-P-C4' energy: -62.850 flat angles P-C4'-P energy: -43.937 tors. eta vs tors. theta energy: -81.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -842.391959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.391959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.391959 (E_RNA) where: Base-Base interactions energy: -555.359 where: short stacking energy: -258.598 Base-Backbone interact. energy: -1.505 local terms energy: -285.527724 where: bonds (distance) C4'-P energy: -48.335 bonds (distance) P-C4' energy: -52.990 flat angles C4'-P-C4' energy: -67.564 flat angles P-C4'-P energy: -38.244 tors. eta vs tors. theta energy: -78.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -681.349273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.349273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.349273 (E_RNA) where: Base-Base interactions energy: -447.148 where: short stacking energy: -203.933 Base-Backbone interact. energy: -1.271 local terms energy: -232.930542 where: bonds (distance) C4'-P energy: -51.547 bonds (distance) P-C4' energy: -49.840 flat angles C4'-P-C4' energy: -53.720 flat angles P-C4'-P energy: -33.388 tors. eta vs tors. theta energy: -44.436 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: 6 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -613.634910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.634910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.634910 (E_RNA) where: Base-Base interactions energy: -371.293 where: short stacking energy: -180.788 Base-Backbone interact. energy: -0.834 local terms energy: -241.508236 where: bonds (distance) C4'-P energy: -47.079 bonds (distance) P-C4' energy: -52.427 flat angles C4'-P-C4' energy: -64.751 flat angles P-C4'-P energy: -45.379 tors. eta vs tors. theta energy: -31.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -296.652275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.652275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.652275 (E_RNA) where: Base-Base interactions energy: -87.045 where: short stacking energy: -76.263 Base-Backbone interact. energy: -1.900 local terms energy: -207.707350 where: bonds (distance) C4'-P energy: -59.395 bonds (distance) P-C4' energy: -64.991 flat angles C4'-P-C4' energy: -54.675 flat angles P-C4'-P energy: -28.000 tors. eta vs tors. theta energy: -0.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -306.391809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.391809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.391809 (E_RNA) where: Base-Base interactions energy: -130.583 where: short stacking energy: -84.807 Base-Backbone interact. energy: -0.418 local terms energy: -175.391425 where: bonds (distance) C4'-P energy: -53.877 bonds (distance) P-C4' energy: -56.457 flat angles C4'-P-C4' energy: -41.940 flat angles P-C4'-P energy: -22.298 tors. eta vs tors. theta energy: -0.820 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: 145 Temperature: 0.900000 Total energy: -1098.959517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.959517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.959517 (E_RNA) where: Base-Base interactions energy: -740.225 where: short stacking energy: -345.641 Base-Backbone interact. energy: -0.905 local terms energy: -357.829829 where: bonds (distance) C4'-P energy: -72.577 bonds (distance) P-C4' energy: -67.023 flat angles C4'-P-C4' energy: -73.569 flat angles P-C4'-P energy: -52.465 tors. eta vs tors. theta energy: -92.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -1074.736844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.736844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.736844 (E_RNA) where: Base-Base interactions energy: -746.876 where: short stacking energy: -313.797 Base-Backbone interact. energy: 0.618 local terms energy: -328.478259 where: bonds (distance) C4'-P energy: -57.711 bonds (distance) P-C4' energy: -71.454 flat angles C4'-P-C4' energy: -72.146 flat angles P-C4'-P energy: -41.011 tors. eta vs tors. theta energy: -86.156 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: 3 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -1026.970749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.970749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.970749 (E_RNA) where: Base-Base interactions energy: -701.214 where: short stacking energy: -310.781 Base-Backbone interact. energy: -1.448 local terms energy: -324.309576 where: bonds (distance) C4'-P energy: -57.988 bonds (distance) P-C4' energy: -59.913 flat angles C4'-P-C4' energy: -70.472 flat angles P-C4'-P energy: -43.252 tors. eta vs tors. theta energy: -92.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -969.662892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.662892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.662892 (E_RNA) where: Base-Base interactions energy: -673.088 where: short stacking energy: -289.916 Base-Backbone interact. energy: -1.873 local terms energy: -294.702011 where: bonds (distance) C4'-P energy: -55.244 bonds (distance) P-C4' energy: -43.995 flat angles C4'-P-C4' energy: -65.461 flat angles P-C4'-P energy: -45.134 tors. eta vs tors. theta energy: -84.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -898.705779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.705779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.705779 (E_RNA) where: Base-Base interactions energy: -612.557 where: short stacking energy: -266.397 Base-Backbone interact. energy: 0.172 local terms energy: -286.320643 where: bonds (distance) C4'-P energy: -47.326 bonds (distance) P-C4' energy: -52.785 flat angles C4'-P-C4' energy: -66.029 flat angles P-C4'-P energy: -44.070 tors. eta vs tors. theta energy: -76.110 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: 2 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -835.350924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.350924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.350924 (E_RNA) where: Base-Base interactions energy: -550.921 where: short stacking energy: -271.946 Base-Backbone interact. energy: 1.168 local terms energy: -285.598142 where: bonds (distance) C4'-P energy: -41.258 bonds (distance) P-C4' energy: -55.619 flat angles C4'-P-C4' energy: -69.288 flat angles P-C4'-P energy: -41.427 tors. eta vs tors. theta energy: -78.006 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: 8 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -715.995516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.995516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.995516 (E_RNA) where: Base-Base interactions energy: -464.311 where: short stacking energy: -211.665 Base-Backbone interact. energy: -0.736 local terms energy: -250.948845 where: bonds (distance) C4'-P energy: -51.708 bonds (distance) P-C4' energy: -57.024 flat angles C4'-P-C4' energy: -59.026 flat angles P-C4'-P energy: -36.379 tors. eta vs tors. theta energy: -46.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -595.798437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.798437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.798437 (E_RNA) where: Base-Base interactions energy: -371.437 where: short stacking energy: -160.521 Base-Backbone interact. energy: 2.692 local terms energy: -227.053309 where: bonds (distance) C4'-P energy: -50.505 bonds (distance) P-C4' energy: -60.055 flat angles C4'-P-C4' energy: -64.339 flat angles P-C4'-P energy: -26.767 tors. eta vs tors. theta energy: -25.386 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: 145 Temperature: 1.300000 Total energy: -295.021851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.021851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.021851 (E_RNA) where: Base-Base interactions energy: -99.127 where: short stacking energy: -79.655 Base-Backbone interact. energy: -0.391 local terms energy: -195.504299 where: bonds (distance) C4'-P energy: -50.588 bonds (distance) P-C4' energy: -52.233 flat angles C4'-P-C4' energy: -47.077 flat angles P-C4'-P energy: -42.528 tors. eta vs tors. theta energy: -3.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -255.082780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.082780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.082780 (E_RNA) where: Base-Base interactions energy: -79.739 where: short stacking energy: -61.036 Base-Backbone interact. energy: 4.065 local terms energy: -179.409276 where: bonds (distance) C4'-P energy: -46.980 bonds (distance) P-C4' energy: -58.498 flat angles C4'-P-C4' energy: -54.652 flat angles P-C4'-P energy: -30.671 tors. eta vs tors. theta energy: 11.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -1100.059043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.059043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.059043 (E_RNA) where: Base-Base interactions energy: -752.371 where: short stacking energy: -336.621 Base-Backbone interact. energy: -2.091 local terms energy: -345.596944 where: bonds (distance) C4'-P energy: -61.859 bonds (distance) P-C4' energy: -65.347 flat angles C4'-P-C4' energy: -72.638 flat angles P-C4'-P energy: -52.214 tors. eta vs tors. theta energy: -93.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -1071.304529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.304529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.304529 (E_RNA) where: Base-Base interactions energy: -733.459 where: short stacking energy: -323.634 Base-Backbone interact. energy: 1.492 local terms energy: -339.337362 where: bonds (distance) C4'-P energy: -65.719 bonds (distance) P-C4' energy: -54.131 flat angles C4'-P-C4' energy: -72.069 flat angles P-C4'-P energy: -50.325 tors. eta vs tors. theta energy: -97.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -1053.992349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.992349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.992349 (E_RNA) where: Base-Base interactions energy: -728.045 where: short stacking energy: -318.243 Base-Backbone interact. energy: -0.736 local terms energy: -325.211446 where: bonds (distance) C4'-P energy: -52.345 bonds (distance) P-C4' energy: -65.313 flat angles C4'-P-C4' energy: -71.916 flat angles P-C4'-P energy: -47.374 tors. eta vs tors. theta energy: -88.264 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: 4, replica: 1 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -994.708202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.708202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.708202 (E_RNA) where: Base-Base interactions energy: -675.412 where: short stacking energy: -291.458 Base-Backbone interact. energy: -0.875 local terms energy: -318.420589 where: bonds (distance) C4'-P energy: -64.318 bonds (distance) P-C4' energy: -57.593 flat angles C4'-P-C4' energy: -65.991 flat angles P-C4'-P energy: -40.590 tors. eta vs tors. theta energy: -89.928 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: 7 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -919.093309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.093309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.093309 (E_RNA) where: Base-Base interactions energy: -607.709 where: short stacking energy: -260.272 Base-Backbone interact. energy: -1.403 local terms energy: -309.981767 where: bonds (distance) C4'-P energy: -55.665 bonds (distance) P-C4' energy: -61.381 flat angles C4'-P-C4' energy: -72.577 flat angles P-C4'-P energy: -48.861 tors. eta vs tors. theta energy: -71.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -831.646595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.646595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.646595 (E_RNA) where: Base-Base interactions energy: -553.013 where: short stacking energy: -250.993 Base-Backbone interact. energy: 1.650 local terms energy: -280.283527 where: bonds (distance) C4'-P energy: -44.474 bonds (distance) P-C4' energy: -54.105 flat angles C4'-P-C4' energy: -63.754 flat angles P-C4'-P energy: -46.347 tors. eta vs tors. theta energy: -71.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -708.482140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.482140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.482140 (E_RNA) where: Base-Base interactions energy: -457.678 where: short stacking energy: -213.041 Base-Backbone interact. energy: -0.776 local terms energy: -250.028141 where: bonds (distance) C4'-P energy: -49.495 bonds (distance) P-C4' energy: -63.974 flat angles C4'-P-C4' energy: -53.370 flat angles P-C4'-P energy: -40.747 tors. eta vs tors. theta energy: -42.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -579.448473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.448473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.448473 (E_RNA) where: Base-Base interactions energy: -356.230 where: short stacking energy: -157.384 Base-Backbone interact. energy: 1.169 local terms energy: -224.387647 where: bonds (distance) C4'-P energy: -59.898 bonds (distance) P-C4' energy: -56.357 flat angles C4'-P-C4' energy: -49.135 flat angles P-C4'-P energy: -26.674 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: 9, replica: 4 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -289.677876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.677876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.677876 (E_RNA) where: Base-Base interactions energy: -83.593 where: short stacking energy: -81.008 Base-Backbone interact. energy: 1.637 local terms energy: -207.721301 where: bonds (distance) C4'-P energy: -52.361 bonds (distance) P-C4' energy: -57.121 flat angles C4'-P-C4' energy: -51.684 flat angles P-C4'-P energy: -29.830 tors. eta vs tors. theta energy: -16.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -322.931622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.931622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.931622 (E_RNA) where: Base-Base interactions energy: -147.095 where: short stacking energy: -94.047 Base-Backbone interact. energy: -2.605 local terms energy: -173.231510 where: bonds (distance) C4'-P energy: -54.234 bonds (distance) P-C4' energy: -50.000 flat angles C4'-P-C4' energy: -42.247 flat angles P-C4'-P energy: -31.557 tors. eta vs tors. theta energy: 4.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -1085.576528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.576528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.576528 (E_RNA) where: Base-Base interactions energy: -748.219 where: short stacking energy: -314.014 Base-Backbone interact. energy: -1.631 local terms energy: -335.726558 where: bonds (distance) C4'-P energy: -67.222 bonds (distance) P-C4' energy: -60.970 flat angles C4'-P-C4' energy: -71.309 flat angles P-C4'-P energy: -52.270 tors. eta vs tors. theta energy: -83.955 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: 5 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -1059.418628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.418628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.418628 (E_RNA) where: Base-Base interactions energy: -719.578 where: short stacking energy: -321.782 Base-Backbone interact. energy: 1.285 local terms energy: -341.125878 where: bonds (distance) C4'-P energy: -58.673 bonds (distance) P-C4' energy: -68.126 flat angles C4'-P-C4' energy: -68.523 flat angles P-C4'-P energy: -52.859 tors. eta vs tors. theta energy: -92.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -1050.638683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.638683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.638683 (E_RNA) where: Base-Base interactions energy: -725.111 where: short stacking energy: -305.558 Base-Backbone interact. energy: -0.536 local terms energy: -324.991652 where: bonds (distance) C4'-P energy: -51.847 bonds (distance) P-C4' energy: -68.220 flat angles C4'-P-C4' energy: -71.373 flat angles P-C4'-P energy: -50.176 tors. eta vs tors. theta energy: -83.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -990.183618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.183618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.183618 (E_RNA) where: Base-Base interactions energy: -681.694 where: short stacking energy: -287.213 Base-Backbone interact. energy: 0.113 local terms energy: -308.602881 where: bonds (distance) C4'-P energy: -55.307 bonds (distance) P-C4' energy: -63.889 flat angles C4'-P-C4' energy: -64.595 flat angles P-C4'-P energy: -34.791 tors. eta vs tors. theta energy: -90.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -919.386204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.386204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.386204 (E_RNA) where: Base-Base interactions energy: -614.410 where: short stacking energy: -259.769 Base-Backbone interact. energy: -0.509 local terms energy: -304.467021 where: bonds (distance) C4'-P energy: -55.505 bonds (distance) P-C4' energy: -59.515 flat angles C4'-P-C4' energy: -67.041 flat angles P-C4'-P energy: -49.134 tors. eta vs tors. theta energy: -73.273 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: 6, replica: 2 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -870.906875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.906875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.906875 (E_RNA) where: Base-Base interactions energy: -590.446 where: short stacking energy: -279.287 Base-Backbone interact. energy: -2.244 local terms energy: -278.216466 where: bonds (distance) C4'-P energy: -49.698 bonds (distance) P-C4' energy: -54.789 flat angles C4'-P-C4' energy: -58.142 flat angles P-C4'-P energy: -40.095 tors. eta vs tors. theta energy: -75.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -665.611177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.611177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.611177 (E_RNA) where: Base-Base interactions energy: -420.986 where: short stacking energy: -194.624 Base-Backbone interact. energy: -1.232 local terms energy: -243.392909 where: bonds (distance) C4'-P energy: -55.205 bonds (distance) P-C4' energy: -49.187 flat angles C4'-P-C4' energy: -55.704 flat angles P-C4'-P energy: -41.672 tors. eta vs tors. theta energy: -41.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -565.891895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.891895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.891895 (E_RNA) where: Base-Base interactions energy: -341.116 where: short stacking energy: -156.481 Base-Backbone interact. energy: -2.552 local terms energy: -222.223089 where: bonds (distance) C4'-P energy: -44.720 bonds (distance) P-C4' energy: -62.551 flat angles C4'-P-C4' energy: -56.393 flat angles P-C4'-P energy: -29.281 tors. eta vs tors. theta energy: -29.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -282.562229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.562229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.562229 (E_RNA) where: Base-Base interactions energy: -95.741 where: short stacking energy: -72.381 Base-Backbone interact. energy: -0.900 local terms energy: -185.920950 where: bonds (distance) C4'-P energy: -64.915 bonds (distance) P-C4' energy: -59.669 flat angles C4'-P-C4' energy: -50.179 flat angles P-C4'-P energy: -23.380 tors. eta vs tors. theta energy: 12.222 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: 10, replica: 10 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -325.775280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.775280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.775280 (E_RNA) where: Base-Base interactions energy: -148.203 where: short stacking energy: -97.992 Base-Backbone interact. energy: -1.219 local terms energy: -176.353299 where: bonds (distance) C4'-P energy: -54.555 bonds (distance) P-C4' energy: -49.598 flat angles C4'-P-C4' energy: -50.403 flat angles P-C4'-P energy: -23.299 tors. eta vs tors. theta energy: 1.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -1071.745365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.745365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.745365 (E_RNA) where: Base-Base interactions energy: -739.919 where: short stacking energy: -326.820 Base-Backbone interact. energy: -1.005 local terms energy: -330.821396 where: bonds (distance) C4'-P energy: -66.648 bonds (distance) P-C4' energy: -60.085 flat angles C4'-P-C4' energy: -69.350 flat angles P-C4'-P energy: -41.524 tors. eta vs tors. theta energy: -93.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -1069.327486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.327486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.327486 (E_RNA) where: Base-Base interactions energy: -732.413 where: short stacking energy: -315.113 Base-Backbone interact. energy: 0.432 local terms energy: -337.347075 where: bonds (distance) C4'-P energy: -64.580 bonds (distance) P-C4' energy: -62.998 flat angles C4'-P-C4' energy: -67.575 flat angles P-C4'-P energy: -47.455 tors. eta vs tors. theta energy: -94.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -1046.147890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.147890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.147890 (E_RNA) where: Base-Base interactions energy: -723.648 where: short stacking energy: -311.398 Base-Backbone interact. energy: -1.415 local terms energy: -321.084464 where: bonds (distance) C4'-P energy: -54.025 bonds (distance) P-C4' energy: -69.244 flat angles C4'-P-C4' energy: -65.623 flat angles P-C4'-P energy: -44.339 tors. eta vs tors. theta energy: -87.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -1006.963115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.963115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.963115 (E_RNA) where: Base-Base interactions energy: -692.226 where: short stacking energy: -297.164 Base-Backbone interact. energy: -0.690 local terms energy: -314.046669 where: bonds (distance) C4'-P energy: -53.439 bonds (distance) P-C4' energy: -63.028 flat angles C4'-P-C4' energy: -66.908 flat angles P-C4'-P energy: -42.247 tors. eta vs tors. theta energy: -88.425 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: 148 Temperature: 1.100000 Total energy: -908.997231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.997231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.997231 (E_RNA) where: Base-Base interactions energy: -602.553 where: short stacking energy: -260.001 Base-Backbone interact. energy: -0.496 local terms energy: -305.948728 where: bonds (distance) C4'-P energy: -56.212 bonds (distance) P-C4' energy: -59.423 flat angles C4'-P-C4' energy: -70.444 flat angles P-C4'-P energy: -42.527 tors. eta vs tors. theta energy: -77.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -842.639485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.639485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.639485 (E_RNA) where: Base-Base interactions energy: -570.308 where: short stacking energy: -260.671 Base-Backbone interact. energy: 1.744 local terms energy: -274.075121 where: bonds (distance) C4'-P energy: -60.085 bonds (distance) P-C4' energy: -52.254 flat angles C4'-P-C4' energy: -61.579 flat angles P-C4'-P energy: -30.555 tors. eta vs tors. theta energy: -69.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -645.743940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.743940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.743940 (E_RNA) where: Base-Base interactions energy: -399.592 where: short stacking energy: -189.464 Base-Backbone interact. energy: -1.406 local terms energy: -244.745568 where: bonds (distance) C4'-P energy: -54.352 bonds (distance) P-C4' energy: -57.138 flat angles C4'-P-C4' energy: -60.962 flat angles P-C4'-P energy: -34.486 tors. eta vs tors. theta energy: -37.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -564.103896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.103896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.103896 (E_RNA) where: Base-Base interactions energy: -333.794 where: short stacking energy: -167.464 Base-Backbone interact. energy: -1.043 local terms energy: -229.266652 where: bonds (distance) C4'-P energy: -58.506 bonds (distance) P-C4' energy: -45.530 flat angles C4'-P-C4' energy: -57.811 flat angles P-C4'-P energy: -38.395 tors. eta vs tors. theta energy: -29.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -342.694936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.694936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.694936 (E_RNA) where: Base-Base interactions energy: -155.388 where: short stacking energy: -90.023 Base-Backbone interact. energy: -0.656 local terms energy: -186.651369 where: bonds (distance) C4'-P energy: -58.885 bonds (distance) P-C4' energy: -48.179 flat angles C4'-P-C4' energy: -43.959 flat angles P-C4'-P energy: -35.955 tors. eta vs tors. theta energy: 0.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -263.433264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.433264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.433264 (E_RNA) where: Base-Base interactions energy: -102.629 where: short stacking energy: -74.795 Base-Backbone interact. energy: 0.524 local terms energy: -161.328635 where: bonds (distance) C4'-P energy: -43.512 bonds (distance) P-C4' energy: -59.562 flat angles C4'-P-C4' energy: -36.113 flat angles P-C4'-P energy: -24.790 tors. eta vs tors. theta energy: 2.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -1072.625930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.625930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.625930 (E_RNA) where: Base-Base interactions energy: -728.858 where: short stacking energy: -322.084 Base-Backbone interact. energy: 1.177 local terms energy: -344.944890 where: bonds (distance) C4'-P energy: -69.477 bonds (distance) P-C4' energy: -67.900 flat angles C4'-P-C4' energy: -71.458 flat angles P-C4'-P energy: -44.797 tors. eta vs tors. theta energy: -91.314 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: 9 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -1068.085745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.085745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.085745 (E_RNA) where: Base-Base interactions energy: -724.855 where: short stacking energy: -295.391 Base-Backbone interact. energy: 2.265 local terms energy: -345.495722 where: bonds (distance) C4'-P energy: -63.691 bonds (distance) P-C4' energy: -73.928 flat angles C4'-P-C4' energy: -67.493 flat angles P-C4'-P energy: -47.916 tors. eta vs tors. theta energy: -92.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -1067.691761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.691761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.691761 (E_RNA) where: Base-Base interactions energy: -724.235 where: short stacking energy: -308.390 Base-Backbone interact. energy: -2.757 local terms energy: -340.699926 where: bonds (distance) C4'-P energy: -68.777 bonds (distance) P-C4' energy: -65.935 flat angles C4'-P-C4' energy: -69.551 flat angles P-C4'-P energy: -44.007 tors. eta vs tors. theta energy: -92.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -992.565549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.565549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.565549 (E_RNA) where: Base-Base interactions energy: -688.820 where: short stacking energy: -291.129 Base-Backbone interact. energy: -1.505 local terms energy: -302.240046 where: bonds (distance) C4'-P energy: -37.377 bonds (distance) P-C4' energy: -62.993 flat angles C4'-P-C4' energy: -65.778 flat angles P-C4'-P energy: -45.731 tors. eta vs tors. theta energy: -90.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -936.678530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.678530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.678530 (E_RNA) where: Base-Base interactions energy: -637.958 where: short stacking energy: -274.233 Base-Backbone interact. energy: -1.268 local terms energy: -297.452841 where: bonds (distance) C4'-P energy: -55.532 bonds (distance) P-C4' energy: -55.826 flat angles C4'-P-C4' energy: -66.388 flat angles P-C4'-P energy: -37.658 tors. eta vs tors. theta energy: -82.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -878.808813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.808813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.808813 (E_RNA) where: Base-Base interactions energy: -573.513 where: short stacking energy: -245.156 Base-Backbone interact. energy: -2.066 local terms energy: -303.230153 where: bonds (distance) C4'-P energy: -61.687 bonds (distance) P-C4' energy: -58.255 flat angles C4'-P-C4' energy: -66.672 flat angles P-C4'-P energy: -47.675 tors. eta vs tors. theta energy: -68.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -650.237016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.237016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.237016 (E_RNA) where: Base-Base interactions energy: -409.505 where: short stacking energy: -201.291 Base-Backbone interact. energy: -1.188 local terms energy: -239.544641 where: bonds (distance) C4'-P energy: -57.694 bonds (distance) P-C4' energy: -49.229 flat angles C4'-P-C4' energy: -53.663 flat angles P-C4'-P energy: -27.517 tors. eta vs tors. theta energy: -51.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -583.336307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.336307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.336307 (E_RNA) where: Base-Base interactions energy: -338.466 where: short stacking energy: -155.892 Base-Backbone interact. energy: -2.145 local terms energy: -242.725093 where: bonds (distance) C4'-P energy: -55.855 bonds (distance) P-C4' energy: -65.428 flat angles C4'-P-C4' energy: -55.880 flat angles P-C4'-P energy: -37.256 tors. eta vs tors. theta energy: -28.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -325.955579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.955579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.955579 (E_RNA) where: Base-Base interactions energy: -159.535 where: short stacking energy: -102.682 Base-Backbone interact. energy: 0.147 local terms energy: -166.568047 where: bonds (distance) C4'-P energy: -47.615 bonds (distance) P-C4' energy: -57.042 flat angles C4'-P-C4' energy: -46.313 flat angles P-C4'-P energy: -24.251 tors. eta vs tors. theta energy: 8.653 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: 4 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -298.183068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.183068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.183068 (E_RNA) where: Base-Base interactions energy: -136.896 where: short stacking energy: -87.118 Base-Backbone interact. energy: 0.096 local terms energy: -161.383279 where: bonds (distance) C4'-P energy: -41.696 bonds (distance) P-C4' energy: -68.297 flat angles C4'-P-C4' energy: -35.759 flat angles P-C4'-P energy: -18.306 tors. eta vs tors. theta energy: 2.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -1090.274236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.274236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.274236 (E_RNA) where: Base-Base interactions energy: -751.765 where: short stacking energy: -330.121 Base-Backbone interact. energy: -2.656 local terms energy: -335.852726 where: bonds (distance) C4'-P energy: -58.749 bonds (distance) P-C4' energy: -65.863 flat angles C4'-P-C4' energy: -75.168 flat angles P-C4'-P energy: -45.985 tors. eta vs tors. theta energy: -90.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -1087.940287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.940287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.940287 (E_RNA) where: Base-Base interactions energy: -753.125 where: short stacking energy: -316.948 Base-Backbone interact. energy: -2.384 local terms energy: -332.431340 where: bonds (distance) C4'-P energy: -55.426 bonds (distance) P-C4' energy: -64.340 flat angles C4'-P-C4' energy: -69.720 flat angles P-C4'-P energy: -48.441 tors. eta vs tors. theta energy: -94.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -1074.376083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.376083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.376083 (E_RNA) where: Base-Base interactions energy: -743.441 where: short stacking energy: -312.892 Base-Backbone interact. energy: 0.058 local terms energy: -330.992854 where: bonds (distance) C4'-P energy: -66.661 bonds (distance) P-C4' energy: -61.963 flat angles C4'-P-C4' energy: -63.775 flat angles P-C4'-P energy: -47.789 tors. eta vs tors. theta energy: -90.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -1000.820222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.820222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.820222 (E_RNA) where: Base-Base interactions energy: -677.944 where: short stacking energy: -296.501 Base-Backbone interact. energy: -1.868 local terms energy: -321.007695 where: bonds (distance) C4'-P energy: -68.004 bonds (distance) P-C4' energy: -56.569 flat angles C4'-P-C4' energy: -59.223 flat angles P-C4'-P energy: -48.327 tors. eta vs tors. theta energy: -88.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -954.030590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.030590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.030590 (E_RNA) where: Base-Base interactions energy: -651.903 where: short stacking energy: -281.999 Base-Backbone interact. energy: -1.289 local terms energy: -300.838079 where: bonds (distance) C4'-P energy: -56.674 bonds (distance) P-C4' energy: -55.629 flat angles C4'-P-C4' energy: -66.475 flat angles P-C4'-P energy: -38.430 tors. eta vs tors. theta energy: -83.630 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: 2 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -896.219905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.219905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.219905 (E_RNA) where: Base-Base interactions energy: -600.413 where: short stacking energy: -263.007 Base-Backbone interact. energy: 0.149 local terms energy: -295.955796 where: bonds (distance) C4'-P energy: -51.851 bonds (distance) P-C4' energy: -54.886 flat angles C4'-P-C4' energy: -71.699 flat angles P-C4'-P energy: -40.353 tors. eta vs tors. theta energy: -77.167 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: 150 Temperature: 1.200000 Total energy: -607.318482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.318482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.318482 (E_RNA) where: Base-Base interactions energy: -368.403 where: short stacking energy: -170.903 Base-Backbone interact. energy: -0.236 local terms energy: -238.680129 where: bonds (distance) C4'-P energy: -48.424 bonds (distance) P-C4' energy: -61.697 flat angles C4'-P-C4' energy: -51.535 flat angles P-C4'-P energy: -44.596 tors. eta vs tors. theta energy: -32.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -609.358905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.358905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.358905 (E_RNA) where: Base-Base interactions energy: -370.268 where: short stacking energy: -177.230 Base-Backbone interact. energy: 2.081 local terms energy: -241.171662 where: bonds (distance) C4'-P energy: -58.635 bonds (distance) P-C4' energy: -63.059 flat angles C4'-P-C4' energy: -56.594 flat angles P-C4'-P energy: -28.258 tors. eta vs tors. theta energy: -34.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -315.615224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.615224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.615224 (E_RNA) where: Base-Base interactions energy: -119.838 where: short stacking energy: -86.977 Base-Backbone interact. energy: 5.120 local terms energy: -200.896839 where: bonds (distance) C4'-P energy: -43.704 bonds (distance) P-C4' energy: -60.950 flat angles C4'-P-C4' energy: -59.394 flat angles P-C4'-P energy: -36.763 tors. eta vs tors. theta energy: -0.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -301.160124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.160124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.160124 (E_RNA) where: Base-Base interactions energy: -114.004 where: short stacking energy: -97.253 Base-Backbone interact. energy: 1.029 local terms energy: -188.185685 where: bonds (distance) C4'-P energy: -49.877 bonds (distance) P-C4' energy: -64.921 flat angles C4'-P-C4' energy: -49.038 flat angles P-C4'-P energy: -24.145 tors. eta vs tors. theta energy: -0.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -1121.557633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.557633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.557633 (E_RNA) where: Base-Base interactions energy: -767.515 where: short stacking energy: -334.282 Base-Backbone interact. energy: -2.183 local terms energy: -351.859902 where: bonds (distance) C4'-P energy: -60.379 bonds (distance) P-C4' energy: -73.809 flat angles C4'-P-C4' energy: -72.991 flat angles P-C4'-P energy: -44.779 tors. eta vs tors. theta energy: -99.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -1069.427868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.427868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.427868 (E_RNA) where: Base-Base interactions energy: -733.600 where: short stacking energy: -316.036 Base-Backbone interact. energy: 0.714 local terms energy: -336.542459 where: bonds (distance) C4'-P energy: -56.571 bonds (distance) P-C4' energy: -66.354 flat angles C4'-P-C4' energy: -76.798 flat angles P-C4'-P energy: -47.534 tors. eta vs tors. theta energy: -89.286 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: 151 Temperature: 1.000000 Total energy: -1089.430609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.430609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.430609 (E_RNA) where: Base-Base interactions energy: -754.830 where: short stacking energy: -300.781 Base-Backbone interact. energy: -1.447 local terms energy: -333.153335 where: bonds (distance) C4'-P energy: -67.905 bonds (distance) P-C4' energy: -58.219 flat angles C4'-P-C4' energy: -71.911 flat angles P-C4'-P energy: -44.856 tors. eta vs tors. theta energy: -90.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -962.142009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.142009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.142009 (E_RNA) where: Base-Base interactions energy: -657.048 where: short stacking energy: -289.485 Base-Backbone interact. energy: 1.496 local terms energy: -306.590146 where: bonds (distance) C4'-P energy: -58.816 bonds (distance) P-C4' energy: -66.083 flat angles C4'-P-C4' energy: -64.027 flat angles P-C4'-P energy: -37.746 tors. eta vs tors. theta energy: -79.919 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: 5, replica: 1 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -970.473120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.473120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.473120 (E_RNA) where: Base-Base interactions energy: -680.353 where: short stacking energy: -277.116 Base-Backbone interact. energy: 0.710 local terms energy: -290.830978 where: bonds (distance) C4'-P energy: -45.289 bonds (distance) P-C4' energy: -54.825 flat angles C4'-P-C4' energy: -63.899 flat angles P-C4'-P energy: -43.790 tors. eta vs tors. theta energy: -83.027 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: 2 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -876.787008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.787008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.787008 (E_RNA) where: Base-Base interactions energy: -602.539 where: short stacking energy: -274.434 Base-Backbone interact. energy: -0.731 local terms energy: -273.516765 where: bonds (distance) C4'-P energy: -42.740 bonds (distance) P-C4' energy: -64.618 flat angles C4'-P-C4' energy: -58.006 flat angles P-C4'-P energy: -35.705 tors. eta vs tors. theta energy: -72.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -642.684640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.684640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.684640 (E_RNA) where: Base-Base interactions energy: -398.687 where: short stacking energy: -183.136 Base-Backbone interact. energy: -4.428 local terms energy: -239.569386 where: bonds (distance) C4'-P energy: -56.650 bonds (distance) P-C4' energy: -60.745 flat angles C4'-P-C4' energy: -56.535 flat angles P-C4'-P energy: -33.347 tors. eta vs tors. theta energy: -32.292 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: 8, replica: 8 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -600.099384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.099384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.099384 (E_RNA) where: Base-Base interactions energy: -353.327 where: short stacking energy: -177.213 Base-Backbone interact. energy: -1.125 local terms energy: -245.648046 where: bonds (distance) C4'-P energy: -63.317 bonds (distance) P-C4' energy: -59.454 flat angles C4'-P-C4' energy: -44.793 flat angles P-C4'-P energy: -42.411 tors. eta vs tors. theta energy: -35.673 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: 9, replica: 10 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -281.541783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.541783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.541783 (E_RNA) where: Base-Base interactions energy: -100.771 where: short stacking energy: -78.578 Base-Backbone interact. energy: -0.489 local terms energy: -180.280964 where: bonds (distance) C4'-P energy: -53.432 bonds (distance) P-C4' energy: -63.991 flat angles C4'-P-C4' energy: -49.983 flat angles P-C4'-P energy: -20.405 tors. eta vs tors. theta energy: 7.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -271.438738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.438738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.438738 (E_RNA) where: Base-Base interactions energy: -98.507 where: short stacking energy: -89.014 Base-Backbone interact. energy: -1.084 local terms energy: -171.846999 where: bonds (distance) C4'-P energy: -52.628 bonds (distance) P-C4' energy: -50.639 flat angles C4'-P-C4' energy: -38.008 flat angles P-C4'-P energy: -29.947 tors. eta vs tors. theta energy: -0.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -1105.952700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.952700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.952700 (E_RNA) where: Base-Base interactions energy: -753.693 where: short stacking energy: -332.401 Base-Backbone interact. energy: -1.643 local terms energy: -350.616230 where: bonds (distance) C4'-P energy: -66.401 bonds (distance) P-C4' energy: -63.814 flat angles C4'-P-C4' energy: -73.457 flat angles P-C4'-P energy: -53.284 tors. eta vs tors. theta energy: -93.660 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: 5 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -1100.787179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.787179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.787179 (E_RNA) where: Base-Base interactions energy: -762.220 where: short stacking energy: -321.223 Base-Backbone interact. energy: -1.082 local terms energy: -337.485406 where: bonds (distance) C4'-P energy: -58.549 bonds (distance) P-C4' energy: -65.928 flat angles C4'-P-C4' energy: -72.559 flat angles P-C4'-P energy: -46.394 tors. eta vs tors. theta energy: -94.055 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: 152 Temperature: 1.000000 Total energy: -1094.566402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.566402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.566402 (E_RNA) where: Base-Base interactions energy: -758.881 where: short stacking energy: -312.698 Base-Backbone interact. energy: -1.579 local terms energy: -334.105847 where: bonds (distance) C4'-P energy: -61.891 bonds (distance) P-C4' energy: -56.932 flat angles C4'-P-C4' energy: -66.861 flat angles P-C4'-P energy: -51.309 tors. eta vs tors. theta energy: -97.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -935.919899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.919899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.919899 (E_RNA) where: Base-Base interactions energy: -624.122 where: short stacking energy: -272.466 Base-Backbone interact. energy: -2.057 local terms energy: -309.740822 where: bonds (distance) C4'-P energy: -53.304 bonds (distance) P-C4' energy: -64.485 flat angles C4'-P-C4' energy: -72.532 flat angles P-C4'-P energy: -47.317 tors. eta vs tors. theta energy: -72.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -975.836321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.836321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.836321 (E_RNA) where: Base-Base interactions energy: -657.367 where: short stacking energy: -297.303 Base-Backbone interact. energy: -0.218 local terms energy: -318.250939 where: bonds (distance) C4'-P energy: -57.415 bonds (distance) P-C4' energy: -64.004 flat angles C4'-P-C4' energy: -71.258 flat angles P-C4'-P energy: -35.880 tors. eta vs tors. theta energy: -89.694 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: 2 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -827.975434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.975434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.975434 (E_RNA) where: Base-Base interactions energy: -549.646 where: short stacking energy: -261.689 Base-Backbone interact. energy: -1.175 local terms energy: -277.154478 where: bonds (distance) C4'-P energy: -49.745 bonds (distance) P-C4' energy: -53.665 flat angles C4'-P-C4' energy: -62.044 flat angles P-C4'-P energy: -45.504 tors. eta vs tors. theta energy: -66.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -650.303060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.303060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.303060 (E_RNA) where: Base-Base interactions energy: -393.775 where: short stacking energy: -187.666 Base-Backbone interact. energy: 3.546 local terms energy: -260.073771 where: bonds (distance) C4'-P energy: -59.649 bonds (distance) P-C4' energy: -58.083 flat angles C4'-P-C4' energy: -48.394 flat angles P-C4'-P energy: -47.483 tors. eta vs tors. theta energy: -46.465 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: 8, replica: 8 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -592.955048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.955048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.955048 (E_RNA) where: Base-Base interactions energy: -358.467 where: short stacking energy: -169.537 Base-Backbone interact. energy: -0.277 local terms energy: -234.211150 where: bonds (distance) C4'-P energy: -50.161 bonds (distance) P-C4' energy: -49.976 flat angles C4'-P-C4' energy: -52.521 flat angles P-C4'-P energy: -45.080 tors. eta vs tors. theta energy: -36.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -316.205565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.205565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.205565 (E_RNA) where: Base-Base interactions energy: -139.642 where: short stacking energy: -111.615 Base-Backbone interact. energy: 0.286 local terms energy: -176.849701 where: bonds (distance) C4'-P energy: -50.130 bonds (distance) P-C4' energy: -55.675 flat angles C4'-P-C4' energy: -42.990 flat angles P-C4'-P energy: -32.591 tors. eta vs tors. theta energy: 4.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -291.007496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.007496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.007496 (E_RNA) where: Base-Base interactions energy: -94.969 where: short stacking energy: -74.671 Base-Backbone interact. energy: 3.620 local terms energy: -199.658264 where: bonds (distance) C4'-P energy: -59.539 bonds (distance) P-C4' energy: -57.582 flat angles C4'-P-C4' energy: -61.235 flat angles P-C4'-P energy: -23.102 tors. eta vs tors. theta energy: 1.800 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: 153 Temperature: 0.900000 Total energy: -1097.000819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.000819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.000819 (E_RNA) where: Base-Base interactions energy: -752.069 where: short stacking energy: -327.264 Base-Backbone interact. energy: -1.477 local terms energy: -343.455018 where: bonds (distance) C4'-P energy: -65.362 bonds (distance) P-C4' energy: -59.874 flat angles C4'-P-C4' energy: -74.570 flat angles P-C4'-P energy: -48.419 tors. eta vs tors. theta energy: -95.231 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: 153 Temperature: 0.950000 Total energy: -1106.550966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.550966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.550966 (E_RNA) where: Base-Base interactions energy: -765.079 where: short stacking energy: -326.439 Base-Backbone interact. energy: -1.094 local terms energy: -340.378114 where: bonds (distance) C4'-P energy: -59.861 bonds (distance) P-C4' energy: -68.646 flat angles C4'-P-C4' energy: -67.459 flat angles P-C4'-P energy: -47.782 tors. eta vs tors. theta energy: -96.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -1045.551186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.551186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.551186 (E_RNA) where: Base-Base interactions energy: -724.553 where: short stacking energy: -316.022 Base-Backbone interact. energy: -1.707 local terms energy: -319.291155 where: bonds (distance) C4'-P energy: -67.316 bonds (distance) P-C4' energy: -60.343 flat angles C4'-P-C4' energy: -64.916 flat angles P-C4'-P energy: -38.222 tors. eta vs tors. theta energy: -88.494 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: 153 Temperature: 1.050000 Total energy: -1016.779846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.779846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.779846 (E_RNA) where: Base-Base interactions energy: -688.233 where: short stacking energy: -295.664 Base-Backbone interact. energy: -0.808 local terms energy: -327.739487 where: bonds (distance) C4'-P energy: -54.522 bonds (distance) P-C4' energy: -64.242 flat angles C4'-P-C4' energy: -69.109 flat angles P-C4'-P energy: -44.537 tors. eta vs tors. theta energy: -95.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -934.995697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.995697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.995697 (E_RNA) where: Base-Base interactions energy: -647.832 where: short stacking energy: -282.494 Base-Backbone interact. energy: 0.581 local terms energy: -287.744156 where: bonds (distance) C4'-P energy: -59.744 bonds (distance) P-C4' energy: -60.438 flat angles C4'-P-C4' energy: -58.924 flat angles P-C4'-P energy: -36.420 tors. eta vs tors. theta energy: -72.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -855.477445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.477445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.477445 (E_RNA) where: Base-Base interactions energy: -579.380 where: short stacking energy: -256.351 Base-Backbone interact. energy: -0.686 local terms energy: -275.411127 where: bonds (distance) C4'-P energy: -56.521 bonds (distance) P-C4' energy: -58.894 flat angles C4'-P-C4' energy: -57.018 flat angles P-C4'-P energy: -27.814 tors. eta vs tors. theta energy: -75.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -662.190296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.190296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.190296 (E_RNA) where: Base-Base interactions energy: -402.946 where: short stacking energy: -186.932 Base-Backbone interact. energy: -0.985 local terms energy: -258.259208 where: bonds (distance) C4'-P energy: -61.910 bonds (distance) P-C4' energy: -62.497 flat angles C4'-P-C4' energy: -56.234 flat angles P-C4'-P energy: -31.547 tors. eta vs tors. theta energy: -46.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -584.041178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.041178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.041178 (E_RNA) where: Base-Base interactions energy: -372.569 where: short stacking energy: -164.445 Base-Backbone interact. energy: -0.692 local terms energy: -210.780250 where: bonds (distance) C4'-P energy: -46.203 bonds (distance) P-C4' energy: -48.547 flat angles C4'-P-C4' energy: -54.671 flat angles P-C4'-P energy: -34.568 tors. eta vs tors. theta energy: -26.791 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: 9, replica: 10 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -294.656482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.656482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.656482 (E_RNA) where: Base-Base interactions energy: -129.857 where: short stacking energy: -65.299 Base-Backbone interact. energy: -2.609 local terms energy: -162.190401 where: bonds (distance) C4'-P energy: -58.074 bonds (distance) P-C4' energy: -50.704 flat angles C4'-P-C4' energy: -41.182 flat angles P-C4'-P energy: -24.713 tors. eta vs tors. theta energy: 12.483 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: 4 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -250.678994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.678994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.678994 (E_RNA) where: Base-Base interactions energy: -84.920 where: short stacking energy: -68.521 Base-Backbone interact. energy: -1.465 local terms energy: -164.293713 where: bonds (distance) C4'-P energy: -48.915 bonds (distance) P-C4' energy: -45.356 flat angles C4'-P-C4' energy: -35.286 flat angles P-C4'-P energy: -34.806 tors. eta vs tors. theta energy: 0.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -1104.473272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.473272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.473272 (E_RNA) where: Base-Base interactions energy: -758.370 where: short stacking energy: -319.793 Base-Backbone interact. energy: -1.263 local terms energy: -344.839723 where: bonds (distance) C4'-P energy: -61.450 bonds (distance) P-C4' energy: -60.008 flat angles C4'-P-C4' energy: -75.809 flat angles P-C4'-P energy: -53.100 tors. eta vs tors. theta energy: -94.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -1102.130485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.130485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.130485 (E_RNA) where: Base-Base interactions energy: -756.770 where: short stacking energy: -323.931 Base-Backbone interact. energy: -0.242 local terms energy: -345.118458 where: bonds (distance) C4'-P energy: -64.026 bonds (distance) P-C4' energy: -61.375 flat angles C4'-P-C4' energy: -67.059 flat angles P-C4'-P energy: -49.698 tors. eta vs tors. theta energy: -102.960 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: 1 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -1045.485931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.485931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.485931 (E_RNA) where: Base-Base interactions energy: -703.608 where: short stacking energy: -312.950 Base-Backbone interact. energy: 0.166 local terms energy: -342.044109 where: bonds (distance) C4'-P energy: -57.797 bonds (distance) P-C4' energy: -63.904 flat angles C4'-P-C4' energy: -71.796 flat angles P-C4'-P energy: -50.329 tors. eta vs tors. theta energy: -98.219 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: 5 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -1011.096289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.096289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.096289 (E_RNA) where: Base-Base interactions energy: -695.267 where: short stacking energy: -310.635 Base-Backbone interact. energy: -0.340 local terms energy: -315.489569 where: bonds (distance) C4'-P energy: -57.524 bonds (distance) P-C4' energy: -60.776 flat angles C4'-P-C4' energy: -65.677 flat angles P-C4'-P energy: -39.821 tors. eta vs tors. theta energy: -91.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -915.307017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.307017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.307017 (E_RNA) where: Base-Base interactions energy: -623.693 where: short stacking energy: -266.827 Base-Backbone interact. energy: -1.106 local terms energy: -290.507794 where: bonds (distance) C4'-P energy: -54.600 bonds (distance) P-C4' energy: -60.226 flat angles C4'-P-C4' energy: -59.672 flat angles P-C4'-P energy: -45.113 tors. eta vs tors. theta energy: -70.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -837.853711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.853711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.853711 (E_RNA) where: Base-Base interactions energy: -543.240 where: short stacking energy: -247.996 Base-Backbone interact. energy: -0.394 local terms energy: -294.219487 where: bonds (distance) C4'-P energy: -60.297 bonds (distance) P-C4' energy: -65.574 flat angles C4'-P-C4' energy: -62.756 flat angles P-C4'-P energy: -35.472 tors. eta vs tors. theta energy: -70.120 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: 6 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -663.409580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.409580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.409580 (E_RNA) where: Base-Base interactions energy: -417.623 where: short stacking energy: -184.686 Base-Backbone interact. energy: 1.805 local terms energy: -247.592168 where: bonds (distance) C4'-P energy: -55.426 bonds (distance) P-C4' energy: -60.065 flat angles C4'-P-C4' energy: -56.589 flat angles P-C4'-P energy: -31.552 tors. eta vs tors. theta energy: -43.960 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: 8, replica: 8 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -645.905181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.905181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.905181 (E_RNA) where: Base-Base interactions energy: -399.342 where: short stacking energy: -192.034 Base-Backbone interact. energy: 0.292 local terms energy: -246.855229 where: bonds (distance) C4'-P energy: -51.648 bonds (distance) P-C4' energy: -60.384 flat angles C4'-P-C4' energy: -44.296 flat angles P-C4'-P energy: -40.663 tors. eta vs tors. theta energy: -49.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -289.348453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.348453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.348453 (E_RNA) where: Base-Base interactions energy: -107.337 where: short stacking energy: -74.898 Base-Backbone interact. energy: -1.355 local terms energy: -180.656504 where: bonds (distance) C4'-P energy: -41.172 bonds (distance) P-C4' energy: -53.697 flat angles C4'-P-C4' energy: -49.977 flat angles P-C4'-P energy: -38.453 tors. eta vs tors. theta energy: 2.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -262.189897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.189897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.189897 (E_RNA) where: Base-Base interactions energy: -91.957 where: short stacking energy: -63.829 Base-Backbone interact. energy: 1.566 local terms energy: -171.799076 where: bonds (distance) C4'-P energy: -46.725 bonds (distance) P-C4' energy: -51.215 flat angles C4'-P-C4' energy: -49.042 flat angles P-C4'-P energy: -34.192 tors. eta vs tors. theta energy: 9.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -1112.681350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.681350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.681350 (E_RNA) where: Base-Base interactions energy: -757.630 where: short stacking energy: -333.748 Base-Backbone interact. energy: -1.297 local terms energy: -353.754493 where: bonds (distance) C4'-P energy: -63.536 bonds (distance) P-C4' energy: -62.230 flat angles C4'-P-C4' energy: -76.067 flat angles P-C4'-P energy: -60.811 tors. eta vs tors. theta energy: -91.109 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: 3 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -1103.555220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.555220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.555220 (E_RNA) where: Base-Base interactions energy: -751.459 where: short stacking energy: -316.140 Base-Backbone interact. energy: -0.212 local terms energy: -351.883903 where: bonds (distance) C4'-P energy: -68.380 bonds (distance) P-C4' energy: -67.746 flat angles C4'-P-C4' energy: -78.710 flat angles P-C4'-P energy: -46.630 tors. eta vs tors. theta energy: -90.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -1026.127381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.127381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.127381 (E_RNA) where: Base-Base interactions energy: -695.671 where: short stacking energy: -306.460 Base-Backbone interact. energy: -1.875 local terms energy: -328.581750 where: bonds (distance) C4'-P energy: -53.892 bonds (distance) P-C4' energy: -61.207 flat angles C4'-P-C4' energy: -71.202 flat angles P-C4'-P energy: -42.417 tors. eta vs tors. theta energy: -99.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -1014.051525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.051525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.051525 (E_RNA) where: Base-Base interactions energy: -705.539 where: short stacking energy: -296.592 Base-Backbone interact. energy: 1.069 local terms energy: -309.581181 where: bonds (distance) C4'-P energy: -61.349 bonds (distance) P-C4' energy: -60.153 flat angles C4'-P-C4' energy: -68.306 flat angles P-C4'-P energy: -38.607 tors. eta vs tors. theta energy: -81.167 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: 155 Temperature: 1.100000 Total energy: -918.441643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.441643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.441643 (E_RNA) where: Base-Base interactions energy: -628.680 where: short stacking energy: -267.634 Base-Backbone interact. energy: -0.022 local terms energy: -289.739484 where: bonds (distance) C4'-P energy: -56.634 bonds (distance) P-C4' energy: -56.031 flat angles C4'-P-C4' energy: -58.391 flat angles P-C4'-P energy: -47.697 tors. eta vs tors. theta energy: -70.988 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: 2 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -860.415985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.415985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.415985 (E_RNA) where: Base-Base interactions energy: -567.482 where: short stacking energy: -259.403 Base-Backbone interact. energy: -0.606 local terms energy: -292.327796 where: bonds (distance) C4'-P energy: -46.342 bonds (distance) P-C4' energy: -63.988 flat angles C4'-P-C4' energy: -64.047 flat angles P-C4'-P energy: -42.069 tors. eta vs tors. theta energy: -75.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -681.793363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.793363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.793363 (E_RNA) where: Base-Base interactions energy: -430.230 where: short stacking energy: -188.205 Base-Backbone interact. energy: 0.634 local terms energy: -252.197645 where: bonds (distance) C4'-P energy: -63.403 bonds (distance) P-C4' energy: -54.991 flat angles C4'-P-C4' energy: -61.709 flat angles P-C4'-P energy: -35.179 tors. eta vs tors. theta energy: -36.915 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: 155 Temperature: 1.250000 Total energy: -617.059692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.059692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.059692 (E_RNA) where: Base-Base interactions energy: -379.491 where: short stacking energy: -186.378 Base-Backbone interact. energy: 1.539 local terms energy: -239.107605 where: bonds (distance) C4'-P energy: -57.887 bonds (distance) P-C4' energy: -58.028 flat angles C4'-P-C4' energy: -48.567 flat angles P-C4'-P energy: -36.341 tors. eta vs tors. theta energy: -38.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -284.052958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.052958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.052958 (E_RNA) where: Base-Base interactions energy: -121.496 where: short stacking energy: -91.732 Base-Backbone interact. energy: 1.633 local terms energy: -164.190221 where: bonds (distance) C4'-P energy: -47.577 bonds (distance) P-C4' energy: -53.845 flat angles C4'-P-C4' energy: -37.617 flat angles P-C4'-P energy: -25.307 tors. eta vs tors. theta energy: 0.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -272.812930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.812930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.812930 (E_RNA) where: Base-Base interactions energy: -105.036 where: short stacking energy: -67.176 Base-Backbone interact. energy: -0.008 local terms energy: -167.768874 where: bonds (distance) C4'-P energy: -51.660 bonds (distance) P-C4' energy: -45.341 flat angles C4'-P-C4' energy: -43.348 flat angles P-C4'-P energy: -21.013 tors. eta vs tors. theta energy: -6.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -1089.342768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.342768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.342768 (E_RNA) where: Base-Base interactions energy: -743.957 where: short stacking energy: -325.486 Base-Backbone interact. energy: -1.139 local terms energy: -344.246518 where: bonds (distance) C4'-P energy: -65.885 bonds (distance) P-C4' energy: -66.532 flat angles C4'-P-C4' energy: -71.960 flat angles P-C4'-P energy: -46.937 tors. eta vs tors. theta energy: -92.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -1105.512248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.512248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.512248 (E_RNA) where: Base-Base interactions energy: -754.975 where: short stacking energy: -317.350 Base-Backbone interact. energy: -2.395 local terms energy: -348.141607 where: bonds (distance) C4'-P energy: -60.393 bonds (distance) P-C4' energy: -65.042 flat angles C4'-P-C4' energy: -71.265 flat angles P-C4'-P energy: -47.066 tors. eta vs tors. theta energy: -104.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -1033.312665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.312665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.312665 (E_RNA) where: Base-Base interactions energy: -695.141 where: short stacking energy: -318.752 Base-Backbone interact. energy: -0.313 local terms energy: -337.857966 where: bonds (distance) C4'-P energy: -58.883 bonds (distance) P-C4' energy: -61.863 flat angles C4'-P-C4' energy: -69.101 flat angles P-C4'-P energy: -46.499 tors. eta vs tors. theta energy: -101.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -993.309104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.309104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.309104 (E_RNA) where: Base-Base interactions energy: -683.208 where: short stacking energy: -295.164 Base-Backbone interact. energy: -1.837 local terms energy: -308.264047 where: bonds (distance) C4'-P energy: -55.125 bonds (distance) P-C4' energy: -52.768 flat angles C4'-P-C4' energy: -78.910 flat angles P-C4'-P energy: -43.789 tors. eta vs tors. theta energy: -77.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -927.593101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.593101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.593101 (E_RNA) where: Base-Base interactions energy: -641.135 where: short stacking energy: -268.853 Base-Backbone interact. energy: -1.417 local terms energy: -285.041755 where: bonds (distance) C4'-P energy: -57.716 bonds (distance) P-C4' energy: -57.318 flat angles C4'-P-C4' energy: -61.285 flat angles P-C4'-P energy: -40.872 tors. eta vs tors. theta energy: -67.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -782.530510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.530510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.530510 (E_RNA) where: Base-Base interactions energy: -514.633 where: short stacking energy: -245.315 Base-Backbone interact. energy: 0.528 local terms energy: -268.426026 where: bonds (distance) C4'-P energy: -53.130 bonds (distance) P-C4' energy: -58.100 flat angles C4'-P-C4' energy: -59.390 flat angles P-C4'-P energy: -27.866 tors. eta vs tors. theta energy: -69.941 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: 6 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -629.462322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.462322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.462322 (E_RNA) where: Base-Base interactions energy: -400.012 where: short stacking energy: -188.855 Base-Backbone interact. energy: 0.470 local terms energy: -229.920110 where: bonds (distance) C4'-P energy: -54.315 bonds (distance) P-C4' energy: -50.682 flat angles C4'-P-C4' energy: -49.004 flat angles P-C4'-P energy: -41.637 tors. eta vs tors. theta energy: -34.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -584.384559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.384559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.384559 (E_RNA) where: Base-Base interactions energy: -364.363 where: short stacking energy: -167.287 Base-Backbone interact. energy: 0.593 local terms energy: -220.614339 where: bonds (distance) C4'-P energy: -52.315 bonds (distance) P-C4' energy: -50.017 flat angles C4'-P-C4' energy: -53.956 flat angles P-C4'-P energy: -44.631 tors. eta vs tors. theta energy: -19.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -329.886489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.886489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.886489 (E_RNA) where: Base-Base interactions energy: -160.125 where: short stacking energy: -116.986 Base-Backbone interact. energy: -2.087 local terms energy: -167.674068 where: bonds (distance) C4'-P energy: -47.459 bonds (distance) P-C4' energy: -57.204 flat angles C4'-P-C4' energy: -42.655 flat angles P-C4'-P energy: -21.329 tors. eta vs tors. theta energy: 0.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -261.205799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.205799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.205799 (E_RNA) where: Base-Base interactions energy: -114.564 where: short stacking energy: -68.514 Base-Backbone interact. energy: 0.362 local terms energy: -147.004531 where: bonds (distance) C4'-P energy: -47.306 bonds (distance) P-C4' energy: -43.088 flat angles C4'-P-C4' energy: -35.286 flat angles P-C4'-P energy: -28.796 tors. eta vs tors. theta energy: 7.472 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: 1, replica: 9 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -1109.339037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.339037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.339037 (E_RNA) where: Base-Base interactions energy: -757.856 where: short stacking energy: -312.571 Base-Backbone interact. energy: -2.246 local terms energy: -349.236722 where: bonds (distance) C4'-P energy: -61.842 bonds (distance) P-C4' energy: -64.961 flat angles C4'-P-C4' energy: -72.591 flat angles P-C4'-P energy: -50.307 tors. eta vs tors. theta energy: -99.535 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: 1 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -1081.822493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.822493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.822493 (E_RNA) where: Base-Base interactions energy: -745.516 where: short stacking energy: -340.734 Base-Backbone interact. energy: 0.743 local terms energy: -337.050190 where: bonds (distance) C4'-P energy: -50.684 bonds (distance) P-C4' energy: -58.971 flat angles C4'-P-C4' energy: -70.265 flat angles P-C4'-P energy: -55.515 tors. eta vs tors. theta energy: -101.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -1085.678943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.678943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.678943 (E_RNA) where: Base-Base interactions energy: -755.268 where: short stacking energy: -317.415 Base-Backbone interact. energy: 0.017 local terms energy: -330.428396 where: bonds (distance) C4'-P energy: -64.870 bonds (distance) P-C4' energy: -59.627 flat angles C4'-P-C4' energy: -72.249 flat angles P-C4'-P energy: -35.303 tors. eta vs tors. theta energy: -98.379 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: 5 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -1007.784815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.784815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.784815 (E_RNA) where: Base-Base interactions energy: -709.896 where: short stacking energy: -312.749 Base-Backbone interact. energy: 1.531 local terms energy: -299.419761 where: bonds (distance) C4'-P energy: -53.439 bonds (distance) P-C4' energy: -56.573 flat angles C4'-P-C4' energy: -65.870 flat angles P-C4'-P energy: -44.352 tors. eta vs tors. theta energy: -79.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -944.874600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.874600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.874600 (E_RNA) where: Base-Base interactions energy: -645.595 where: short stacking energy: -268.677 Base-Backbone interact. energy: -1.043 local terms energy: -298.236523 where: bonds (distance) C4'-P energy: -59.618 bonds (distance) P-C4' energy: -56.624 flat angles C4'-P-C4' energy: -64.277 flat angles P-C4'-P energy: -38.920 tors. eta vs tors. theta energy: -78.798 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: 2 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -784.511627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.511627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.511627 (E_RNA) where: Base-Base interactions energy: -498.493 where: short stacking energy: -241.306 Base-Backbone interact. energy: -0.373 local terms energy: -285.646401 where: bonds (distance) C4'-P energy: -54.242 bonds (distance) P-C4' energy: -56.879 flat angles C4'-P-C4' energy: -64.410 flat angles P-C4'-P energy: -48.564 tors. eta vs tors. theta energy: -61.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -650.344308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.344308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.344308 (E_RNA) where: Base-Base interactions energy: -397.051 where: short stacking energy: -201.387 Base-Backbone interact. energy: -0.898 local terms energy: -252.395292 where: bonds (distance) C4'-P energy: -58.476 bonds (distance) P-C4' energy: -49.798 flat angles C4'-P-C4' energy: -62.592 flat angles P-C4'-P energy: -36.816 tors. eta vs tors. theta energy: -44.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -626.863377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.863377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.863377 (E_RNA) where: Base-Base interactions energy: -386.584 where: short stacking energy: -181.383 Base-Backbone interact. energy: -0.933 local terms energy: -239.346958 where: bonds (distance) C4'-P energy: -50.092 bonds (distance) P-C4' energy: -43.482 flat angles C4'-P-C4' energy: -52.826 flat angles P-C4'-P energy: -51.503 tors. eta vs tors. theta energy: -41.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -284.837876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.837876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.837876 (E_RNA) where: Base-Base interactions energy: -111.362 where: short stacking energy: -103.200 Base-Backbone interact. energy: -1.803 local terms energy: -171.672939 where: bonds (distance) C4'-P energy: -47.087 bonds (distance) P-C4' energy: -47.143 flat angles C4'-P-C4' energy: -50.020 flat angles P-C4'-P energy: -25.448 tors. eta vs tors. theta energy: -1.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -328.712273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.712273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.712273 (E_RNA) where: Base-Base interactions energy: -146.807 where: short stacking energy: -96.490 Base-Backbone interact. energy: -1.312 local terms energy: -180.593682 where: bonds (distance) C4'-P energy: -56.996 bonds (distance) P-C4' energy: -50.144 flat angles C4'-P-C4' energy: -40.610 flat angles P-C4'-P energy: -32.461 tors. eta vs tors. theta energy: -0.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -1100.094144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.094144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.094144 (E_RNA) where: Base-Base interactions energy: -753.847 where: short stacking energy: -315.776 Base-Backbone interact. energy: -1.094 local terms energy: -345.153379 where: bonds (distance) C4'-P energy: -63.575 bonds (distance) P-C4' energy: -69.159 flat angles C4'-P-C4' energy: -63.120 flat angles P-C4'-P energy: -53.468 tors. eta vs tors. theta energy: -95.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -1079.962129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.962129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.962129 (E_RNA) where: Base-Base interactions energy: -737.455 where: short stacking energy: -324.539 Base-Backbone interact. energy: 1.009 local terms energy: -343.516483 where: bonds (distance) C4'-P energy: -62.640 bonds (distance) P-C4' energy: -60.907 flat angles C4'-P-C4' energy: -74.373 flat angles P-C4'-P energy: -47.967 tors. eta vs tors. theta energy: -97.629 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: 3 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -1060.932902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.932902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.932902 (E_RNA) where: Base-Base interactions energy: -747.305 where: short stacking energy: -315.786 Base-Backbone interact. energy: -0.633 local terms energy: -312.994305 where: bonds (distance) C4'-P energy: -51.941 bonds (distance) P-C4' energy: -56.991 flat angles C4'-P-C4' energy: -69.292 flat angles P-C4'-P energy: -35.202 tors. eta vs tors. theta energy: -99.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -1025.848985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.848985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.848985 (E_RNA) where: Base-Base interactions energy: -698.238 where: short stacking energy: -305.111 Base-Backbone interact. energy: -1.601 local terms energy: -326.010667 where: bonds (distance) C4'-P energy: -59.767 bonds (distance) P-C4' energy: -57.842 flat angles C4'-P-C4' energy: -77.272 flat angles P-C4'-P energy: -40.418 tors. eta vs tors. theta energy: -90.711 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: 5, replica: 7 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -933.131510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.131510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.131510 (E_RNA) where: Base-Base interactions energy: -641.348 where: short stacking energy: -270.089 Base-Backbone interact. energy: -2.174 local terms energy: -289.609922 where: bonds (distance) C4'-P energy: -46.024 bonds (distance) P-C4' energy: -59.449 flat angles C4'-P-C4' energy: -71.994 flat angles P-C4'-P energy: -40.251 tors. eta vs tors. theta energy: -71.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -826.740972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.740972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.740972 (E_RNA) where: Base-Base interactions energy: -552.103 where: short stacking energy: -256.563 Base-Backbone interact. energy: 0.761 local terms energy: -275.398849 where: bonds (distance) C4'-P energy: -52.524 bonds (distance) P-C4' energy: -51.720 flat angles C4'-P-C4' energy: -59.861 flat angles P-C4'-P energy: -44.416 tors. eta vs tors. theta energy: -66.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -616.396369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.396369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.396369 (E_RNA) where: Base-Base interactions energy: -388.292 where: short stacking energy: -185.619 Base-Backbone interact. energy: 0.714 local terms energy: -228.818858 where: bonds (distance) C4'-P energy: -44.545 bonds (distance) P-C4' energy: -52.755 flat angles C4'-P-C4' energy: -56.987 flat angles P-C4'-P energy: -38.205 tors. eta vs tors. theta energy: -36.328 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: 6 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -642.932690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.932690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.932690 (E_RNA) where: Base-Base interactions energy: -425.755 where: short stacking energy: -197.589 Base-Backbone interact. energy: -0.296 local terms energy: -216.881681 where: bonds (distance) C4'-P energy: -53.249 bonds (distance) P-C4' energy: -46.390 flat angles C4'-P-C4' energy: -43.170 flat angles P-C4'-P energy: -32.445 tors. eta vs tors. theta energy: -41.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -309.822696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.822696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.822696 (E_RNA) where: Base-Base interactions energy: -102.812 where: short stacking energy: -84.350 Base-Backbone interact. energy: -0.780 local terms energy: -206.230966 where: bonds (distance) C4'-P energy: -58.802 bonds (distance) P-C4' energy: -54.926 flat angles C4'-P-C4' energy: -49.953 flat angles P-C4'-P energy: -42.233 tors. eta vs tors. theta energy: -0.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -274.606105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.606105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.606105 (E_RNA) where: Base-Base interactions energy: -110.518 where: short stacking energy: -74.662 Base-Backbone interact. energy: -1.836 local terms energy: -162.252532 where: bonds (distance) C4'-P energy: -63.712 bonds (distance) P-C4' energy: -52.937 flat angles C4'-P-C4' energy: -25.706 flat angles P-C4'-P energy: -33.683 tors. eta vs tors. theta energy: 13.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -1099.576449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.576449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.576449 (E_RNA) where: Base-Base interactions energy: -758.237 where: short stacking energy: -316.111 Base-Backbone interact. energy: 1.545 local terms energy: -342.884680 where: bonds (distance) C4'-P energy: -65.458 bonds (distance) P-C4' energy: -65.495 flat angles C4'-P-C4' energy: -73.345 flat angles P-C4'-P energy: -45.719 tors. eta vs tors. theta energy: -92.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -1065.241865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.241865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.241865 (E_RNA) where: Base-Base interactions energy: -723.911 where: short stacking energy: -322.935 Base-Backbone interact. energy: -1.318 local terms energy: -340.013392 where: bonds (distance) C4'-P energy: -57.946 bonds (distance) P-C4' energy: -73.013 flat angles C4'-P-C4' energy: -64.676 flat angles P-C4'-P energy: -47.913 tors. eta vs tors. theta energy: -96.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -1068.433279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.433279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.433279 (E_RNA) where: Base-Base interactions energy: -741.272 where: short stacking energy: -307.673 Base-Backbone interact. energy: 0.007 local terms energy: -327.168467 where: bonds (distance) C4'-P energy: -63.876 bonds (distance) P-C4' energy: -64.564 flat angles C4'-P-C4' energy: -70.165 flat angles P-C4'-P energy: -38.870 tors. eta vs tors. theta energy: -89.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -1009.891834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.891834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.891834 (E_RNA) where: Base-Base interactions energy: -694.685 where: short stacking energy: -298.908 Base-Backbone interact. energy: -1.149 local terms energy: -314.057872 where: bonds (distance) C4'-P energy: -57.519 bonds (distance) P-C4' energy: -64.310 flat angles C4'-P-C4' energy: -65.199 flat angles P-C4'-P energy: -42.714 tors. eta vs tors. theta energy: -84.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -907.554003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.554003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.554003 (E_RNA) where: Base-Base interactions energy: -610.684 where: short stacking energy: -274.024 Base-Backbone interact. energy: -4.296 local terms energy: -292.573322 where: bonds (distance) C4'-P energy: -57.145 bonds (distance) P-C4' energy: -60.128 flat angles C4'-P-C4' energy: -59.788 flat angles P-C4'-P energy: -36.339 tors. eta vs tors. theta energy: -79.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -813.925409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.925409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.925409 (E_RNA) where: Base-Base interactions energy: -536.986 where: short stacking energy: -243.982 Base-Backbone interact. energy: 0.621 local terms energy: -277.560486 where: bonds (distance) C4'-P energy: -58.707 bonds (distance) P-C4' energy: -60.861 flat angles C4'-P-C4' energy: -52.495 flat angles P-C4'-P energy: -45.914 tors. eta vs tors. theta energy: -59.583 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: 8 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -621.806327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.806327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.806327 (E_RNA) where: Base-Base interactions energy: -396.287 where: short stacking energy: -202.053 Base-Backbone interact. energy: -0.981 local terms energy: -224.537895 where: bonds (distance) C4'-P energy: -47.910 bonds (distance) P-C4' energy: -54.376 flat angles C4'-P-C4' energy: -54.140 flat angles P-C4'-P energy: -35.263 tors. eta vs tors. theta energy: -32.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -656.484758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.484758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.484758 (E_RNA) where: Base-Base interactions energy: -410.681 where: short stacking energy: -194.009 Base-Backbone interact. energy: -1.882 local terms energy: -243.921100 where: bonds (distance) C4'-P energy: -65.139 bonds (distance) P-C4' energy: -45.874 flat angles C4'-P-C4' energy: -57.013 flat angles P-C4'-P energy: -27.999 tors. eta vs tors. theta energy: -47.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -308.552683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.552683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.552683 (E_RNA) where: Base-Base interactions energy: -135.821 where: short stacking energy: -93.556 Base-Backbone interact. energy: -1.843 local terms energy: -170.889228 where: bonds (distance) C4'-P energy: -55.930 bonds (distance) P-C4' energy: -38.226 flat angles C4'-P-C4' energy: -44.372 flat angles P-C4'-P energy: -26.145 tors. eta vs tors. theta energy: -6.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -262.531611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.531611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.531611 (E_RNA) where: Base-Base interactions energy: -111.914 where: short stacking energy: -101.715 Base-Backbone interact. energy: -1.315 local terms energy: -149.302825 where: bonds (distance) C4'-P energy: -51.952 bonds (distance) P-C4' energy: -46.508 flat angles C4'-P-C4' energy: -29.379 flat angles P-C4'-P energy: -27.834 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: 1, replica: 9 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -1114.334019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.334019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.334019 (E_RNA) where: Base-Base interactions energy: -768.792 where: short stacking energy: -310.362 Base-Backbone interact. energy: -2.247 local terms energy: -343.295542 where: bonds (distance) C4'-P energy: -64.958 bonds (distance) P-C4' energy: -67.955 flat angles C4'-P-C4' energy: -67.744 flat angles P-C4'-P energy: -51.281 tors. eta vs tors. theta energy: -91.358 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: 1 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -1081.413745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.413745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.413745 (E_RNA) where: Base-Base interactions energy: -730.898 where: short stacking energy: -324.662 Base-Backbone interact. energy: -1.423 local terms energy: -349.093163 where: bonds (distance) C4'-P energy: -62.158 bonds (distance) P-C4' energy: -67.542 flat angles C4'-P-C4' energy: -68.158 flat angles P-C4'-P energy: -47.008 tors. eta vs tors. theta energy: -104.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -1081.824826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.824826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.824826 (E_RNA) where: Base-Base interactions energy: -743.025 where: short stacking energy: -326.510 Base-Backbone interact. energy: -0.820 local terms energy: -337.979713 where: bonds (distance) C4'-P energy: -53.836 bonds (distance) P-C4' energy: -71.047 flat angles C4'-P-C4' energy: -73.760 flat angles P-C4'-P energy: -45.152 tors. eta vs tors. theta energy: -94.184 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: 5 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -1012.689131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.689131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.689131 (E_RNA) where: Base-Base interactions energy: -702.931 where: short stacking energy: -293.677 Base-Backbone interact. energy: 0.863 local terms energy: -310.621113 where: bonds (distance) C4'-P energy: -47.165 bonds (distance) P-C4' energy: -63.549 flat angles C4'-P-C4' energy: -64.820 flat angles P-C4'-P energy: -45.169 tors. eta vs tors. theta energy: -89.918 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: 7 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -911.699045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.699045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.699045 (E_RNA) where: Base-Base interactions energy: -623.402 where: short stacking energy: -263.704 Base-Backbone interact. energy: -0.672 local terms energy: -287.625779 where: bonds (distance) C4'-P energy: -64.669 bonds (distance) P-C4' energy: -53.886 flat angles C4'-P-C4' energy: -59.044 flat angles P-C4'-P energy: -33.954 tors. eta vs tors. theta energy: -76.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -844.102502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.102502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.102502 (E_RNA) where: Base-Base interactions energy: -574.205 where: short stacking energy: -240.295 Base-Backbone interact. energy: -3.583 local terms energy: -266.314151 where: bonds (distance) C4'-P energy: -49.416 bonds (distance) P-C4' energy: -50.194 flat angles C4'-P-C4' energy: -57.408 flat angles P-C4'-P energy: -47.898 tors. eta vs tors. theta energy: -61.398 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: 8 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -618.486393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.486393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.486393 (E_RNA) where: Base-Base interactions energy: -376.253 where: short stacking energy: -176.662 Base-Backbone interact. energy: -0.955 local terms energy: -241.279154 where: bonds (distance) C4'-P energy: -59.310 bonds (distance) P-C4' energy: -52.714 flat angles C4'-P-C4' energy: -58.058 flat angles P-C4'-P energy: -39.204 tors. eta vs tors. theta energy: -31.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -626.077721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.077721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.077721 (E_RNA) where: Base-Base interactions energy: -390.607 where: short stacking energy: -185.241 Base-Backbone interact. energy: -1.816 local terms energy: -233.654799 where: bonds (distance) C4'-P energy: -50.466 bonds (distance) P-C4' energy: -49.165 flat angles C4'-P-C4' energy: -57.344 flat angles P-C4'-P energy: -35.050 tors. eta vs tors. theta energy: -41.630 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: 10 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -299.973621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.973621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.973621 (E_RNA) where: Base-Base interactions energy: -131.962 where: short stacking energy: -93.006 Base-Backbone interact. energy: -2.985 local terms energy: -165.026260 where: bonds (distance) C4'-P energy: -37.423 bonds (distance) P-C4' energy: -55.858 flat angles C4'-P-C4' energy: -54.811 flat angles P-C4'-P energy: -25.452 tors. eta vs tors. theta energy: 8.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -277.316795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.316795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.316795 (E_RNA) where: Base-Base interactions energy: -87.704 where: short stacking energy: -67.449 Base-Backbone interact. energy: -0.347 local terms energy: -189.265767 where: bonds (distance) C4'-P energy: -66.218 bonds (distance) P-C4' energy: -47.174 flat angles C4'-P-C4' energy: -49.476 flat angles P-C4'-P energy: -29.380 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: 1, replica: 9 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -1098.402317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.402317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.402317 (E_RNA) where: Base-Base interactions energy: -756.545 where: short stacking energy: -325.277 Base-Backbone interact. energy: -2.445 local terms energy: -339.412589 where: bonds (distance) C4'-P energy: -66.788 bonds (distance) P-C4' energy: -60.449 flat angles C4'-P-C4' energy: -75.609 flat angles P-C4'-P energy: -42.734 tors. eta vs tors. theta energy: -93.832 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: 2, replica: 3 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -1111.608895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.608895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.608895 (E_RNA) where: Base-Base interactions energy: -766.167 where: short stacking energy: -331.478 Base-Backbone interact. energy: -1.809 local terms energy: -343.633271 where: bonds (distance) C4'-P energy: -50.318 bonds (distance) P-C4' energy: -69.913 flat angles C4'-P-C4' energy: -75.187 flat angles P-C4'-P energy: -46.836 tors. eta vs tors. theta energy: -101.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -1052.431840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.431840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.431840 (E_RNA) where: Base-Base interactions energy: -715.742 where: short stacking energy: -305.065 Base-Backbone interact. energy: -0.921 local terms energy: -335.768594 where: bonds (distance) C4'-P energy: -64.502 bonds (distance) P-C4' energy: -56.807 flat angles C4'-P-C4' energy: -70.932 flat angles P-C4'-P energy: -50.835 tors. eta vs tors. theta energy: -92.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -1015.259328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.259328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.259328 (E_RNA) where: Base-Base interactions energy: -699.142 where: short stacking energy: -304.531 Base-Backbone interact. energy: 1.525 local terms energy: -317.642051 where: bonds (distance) C4'-P energy: -58.717 bonds (distance) P-C4' energy: -59.169 flat angles C4'-P-C4' energy: -66.521 flat angles P-C4'-P energy: -42.845 tors. eta vs tors. theta energy: -90.389 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: 161 Temperature: 1.100000 Total energy: -887.506637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.506637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.506637 (E_RNA) where: Base-Base interactions energy: -591.613 where: short stacking energy: -250.844 Base-Backbone interact. energy: -1.732 local terms energy: -294.161846 where: bonds (distance) C4'-P energy: -62.174 bonds (distance) P-C4' energy: -51.689 flat angles C4'-P-C4' energy: -69.651 flat angles P-C4'-P energy: -39.308 tors. eta vs tors. theta energy: -71.341 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: 2 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -818.013121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.013121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.013121 (E_RNA) where: Base-Base interactions energy: -532.688 where: short stacking energy: -242.795 Base-Backbone interact. energy: -1.256 local terms energy: -284.069067 where: bonds (distance) C4'-P energy: -52.733 bonds (distance) P-C4' energy: -64.022 flat angles C4'-P-C4' energy: -62.236 flat angles P-C4'-P energy: -38.451 tors. eta vs tors. theta energy: -66.627 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: 7, replica: 8 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -635.557420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.557420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.557420 (E_RNA) where: Base-Base interactions energy: -379.122 where: short stacking energy: -181.047 Base-Backbone interact. energy: -0.388 local terms energy: -256.047021 where: bonds (distance) C4'-P energy: -53.096 bonds (distance) P-C4' energy: -52.685 flat angles C4'-P-C4' energy: -58.092 flat angles P-C4'-P energy: -39.465 tors. eta vs tors. theta energy: -52.709 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: 6 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -617.446526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.446526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.446526 (E_RNA) where: Base-Base interactions energy: -381.037 where: short stacking energy: -172.636 Base-Backbone interact. energy: -0.424 local terms energy: -235.985351 where: bonds (distance) C4'-P energy: -52.908 bonds (distance) P-C4' energy: -52.040 flat angles C4'-P-C4' energy: -63.791 flat angles P-C4'-P energy: -40.049 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: 10 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -290.903806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.903806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.903806 (E_RNA) where: Base-Base interactions energy: -101.813 where: short stacking energy: -86.884 Base-Backbone interact. energy: -2.859 local terms energy: -186.231867 where: bonds (distance) C4'-P energy: -53.309 bonds (distance) P-C4' energy: -64.198 flat angles C4'-P-C4' energy: -51.331 flat angles P-C4'-P energy: -26.584 tors. eta vs tors. theta energy: 9.190 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: 4 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -266.401177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.401177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.401177 (E_RNA) where: Base-Base interactions energy: -115.353 where: short stacking energy: -68.594 Base-Backbone interact. energy: 0.832 local terms energy: -151.880787 where: bonds (distance) C4'-P energy: -50.654 bonds (distance) P-C4' energy: -57.900 flat angles C4'-P-C4' energy: -35.641 flat angles P-C4'-P energy: -18.847 tors. eta vs tors. theta energy: 11.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -1124.932398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.932398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.932398 (E_RNA) where: Base-Base interactions energy: -770.819 where: short stacking energy: -322.355 Base-Backbone interact. energy: -1.076 local terms energy: -353.037564 where: bonds (distance) C4'-P energy: -68.834 bonds (distance) P-C4' energy: -62.206 flat angles C4'-P-C4' energy: -79.738 flat angles P-C4'-P energy: -46.309 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: 2, replica: 9 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -1092.691192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.691192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.691192 (E_RNA) where: Base-Base interactions energy: -761.605 where: short stacking energy: -327.686 Base-Backbone interact. energy: 1.426 local terms energy: -332.512429 where: bonds (distance) C4'-P energy: -62.437 bonds (distance) P-C4' energy: -60.126 flat angles C4'-P-C4' energy: -71.155 flat angles P-C4'-P energy: -44.444 tors. eta vs tors. theta energy: -94.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -1073.275538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.275538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.275538 (E_RNA) where: Base-Base interactions energy: -718.124 where: short stacking energy: -330.236 Base-Backbone interact. energy: -1.718 local terms energy: -353.433622 where: bonds (distance) C4'-P energy: -66.792 bonds (distance) P-C4' energy: -61.969 flat angles C4'-P-C4' energy: -71.143 flat angles P-C4'-P energy: -48.673 tors. eta vs tors. theta energy: -104.856 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: 5 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -1006.799240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.799240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.799240 (E_RNA) where: Base-Base interactions energy: -699.651 where: short stacking energy: -316.296 Base-Backbone interact. energy: -1.523 local terms energy: -305.625272 where: bonds (distance) C4'-P energy: -57.443 bonds (distance) P-C4' energy: -46.741 flat angles C4'-P-C4' energy: -67.064 flat angles P-C4'-P energy: -43.752 tors. eta vs tors. theta energy: -90.626 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: 162 Temperature: 1.100000 Total energy: -894.188586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.188586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.188586 (E_RNA) where: Base-Base interactions energy: -594.870 where: short stacking energy: -255.472 Base-Backbone interact. energy: -1.286 local terms energy: -298.033531 where: bonds (distance) C4'-P energy: -56.330 bonds (distance) P-C4' energy: -61.799 flat angles C4'-P-C4' energy: -63.434 flat angles P-C4'-P energy: -46.171 tors. eta vs tors. theta energy: -70.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -765.248095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.248095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.248095 (E_RNA) where: Base-Base interactions energy: -497.419 where: short stacking energy: -221.648 Base-Backbone interact. energy: 2.898 local terms energy: -270.727901 where: bonds (distance) C4'-P energy: -57.917 bonds (distance) P-C4' energy: -65.297 flat angles C4'-P-C4' energy: -55.798 flat angles P-C4'-P energy: -41.784 tors. eta vs tors. theta energy: -49.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -675.924077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.924077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.924077 (E_RNA) where: Base-Base interactions energy: -428.590 where: short stacking energy: -183.663 Base-Backbone interact. energy: -1.875 local terms energy: -245.458956 where: bonds (distance) C4'-P energy: -58.563 bonds (distance) P-C4' energy: -57.208 flat angles C4'-P-C4' energy: -51.889 flat angles P-C4'-P energy: -37.406 tors. eta vs tors. theta energy: -40.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -625.699284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.699284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.699284 (E_RNA) where: Base-Base interactions energy: -392.403 where: short stacking energy: -178.044 Base-Backbone interact. energy: -1.438 local terms energy: -231.858140 where: bonds (distance) C4'-P energy: -51.407 bonds (distance) P-C4' energy: -57.598 flat angles C4'-P-C4' energy: -63.150 flat angles P-C4'-P energy: -25.404 tors. eta vs tors. theta energy: -34.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -288.262160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.262160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.262160 (E_RNA) where: Base-Base interactions energy: -127.472 where: short stacking energy: -80.228 Base-Backbone interact. energy: -2.651 local terms energy: -158.139435 where: bonds (distance) C4'-P energy: -52.847 bonds (distance) P-C4' energy: -50.857 flat angles C4'-P-C4' energy: -38.494 flat angles P-C4'-P energy: -30.638 tors. eta vs tors. theta energy: 14.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -267.679243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.679243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.679243 (E_RNA) where: Base-Base interactions energy: -90.310 where: short stacking energy: -78.920 Base-Backbone interact. energy: -0.058 local terms energy: -177.310928 where: bonds (distance) C4'-P energy: -47.172 bonds (distance) P-C4' energy: -54.788 flat angles C4'-P-C4' energy: -50.952 flat angles P-C4'-P energy: -30.664 tors. eta vs tors. theta energy: 6.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -1126.280679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.280679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.280679 (E_RNA) where: Base-Base interactions energy: -776.166 where: short stacking energy: -340.594 Base-Backbone interact. energy: -0.240 local terms energy: -349.874742 where: bonds (distance) C4'-P energy: -62.476 bonds (distance) P-C4' energy: -64.073 flat angles C4'-P-C4' energy: -75.956 flat angles P-C4'-P energy: -41.759 tors. eta vs tors. theta energy: -105.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -1077.260080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.260080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.260080 (E_RNA) where: Base-Base interactions energy: -726.825 where: short stacking energy: -328.582 Base-Backbone interact. energy: -0.421 local terms energy: -350.013557 where: bonds (distance) C4'-P energy: -56.727 bonds (distance) P-C4' energy: -62.595 flat angles C4'-P-C4' energy: -80.969 flat angles P-C4'-P energy: -46.685 tors. eta vs tors. theta energy: -103.039 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: 9 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -1044.915551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.915551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.915551 (E_RNA) where: Base-Base interactions energy: -707.778 where: short stacking energy: -302.098 Base-Backbone interact. energy: -0.953 local terms energy: -336.184499 where: bonds (distance) C4'-P energy: -63.226 bonds (distance) P-C4' energy: -61.232 flat angles C4'-P-C4' energy: -71.687 flat angles P-C4'-P energy: -46.098 tors. eta vs tors. theta energy: -93.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -990.289030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.289030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.289030 (E_RNA) where: Base-Base interactions energy: -700.006 where: short stacking energy: -308.647 Base-Backbone interact. energy: 5.187 local terms energy: -295.469904 where: bonds (distance) C4'-P energy: -34.573 bonds (distance) P-C4' energy: -59.589 flat angles C4'-P-C4' energy: -71.178 flat angles P-C4'-P energy: -43.858 tors. eta vs tors. theta energy: -86.271 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: 163 Temperature: 1.100000 Total energy: -875.015544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.015544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.015544 (E_RNA) where: Base-Base interactions energy: -595.807 where: short stacking energy: -259.020 Base-Backbone interact. energy: -1.273 local terms energy: -277.936326 where: bonds (distance) C4'-P energy: -57.263 bonds (distance) P-C4' energy: -39.058 flat angles C4'-P-C4' energy: -68.017 flat angles P-C4'-P energy: -39.839 tors. eta vs tors. theta energy: -73.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -760.500912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.500912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.500912 (E_RNA) where: Base-Base interactions energy: -489.581 where: short stacking energy: -226.013 Base-Backbone interact. energy: -1.672 local terms energy: -269.247874 where: bonds (distance) C4'-P energy: -56.486 bonds (distance) P-C4' energy: -46.517 flat angles C4'-P-C4' energy: -59.890 flat angles P-C4'-P energy: -41.127 tors. eta vs tors. theta energy: -65.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -646.510373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.510373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.510373 (E_RNA) where: Base-Base interactions energy: -424.053 where: short stacking energy: -192.404 Base-Backbone interact. energy: -2.732 local terms energy: -219.726147 where: bonds (distance) C4'-P energy: -49.032 bonds (distance) P-C4' energy: -53.909 flat angles C4'-P-C4' energy: -49.094 flat angles P-C4'-P energy: -44.657 tors. eta vs tors. theta energy: -23.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -623.827270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.827270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.827270 (E_RNA) where: Base-Base interactions energy: -389.958 where: short stacking energy: -187.843 Base-Backbone interact. energy: 1.262 local terms energy: -235.131162 where: bonds (distance) C4'-P energy: -50.865 bonds (distance) P-C4' energy: -56.796 flat angles C4'-P-C4' energy: -55.434 flat angles P-C4'-P energy: -29.197 tors. eta vs tors. theta energy: -42.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -332.192207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.192207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.192207 (E_RNA) where: Base-Base interactions energy: -128.050 where: short stacking energy: -118.548 Base-Backbone interact. energy: -0.355 local terms energy: -203.787479 where: bonds (distance) C4'-P energy: -53.558 bonds (distance) P-C4' energy: -65.090 flat angles C4'-P-C4' energy: -47.747 flat angles P-C4'-P energy: -18.703 tors. eta vs tors. theta energy: -18.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -278.336498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.336498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.336498 (E_RNA) where: Base-Base interactions energy: -122.519 where: short stacking energy: -113.752 Base-Backbone interact. energy: -1.856 local terms energy: -153.961191 where: bonds (distance) C4'-P energy: -22.252 bonds (distance) P-C4' energy: -60.342 flat angles C4'-P-C4' energy: -41.148 flat angles P-C4'-P energy: -28.755 tors. eta vs tors. theta energy: -1.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -1103.392438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.392438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.392438 (E_RNA) where: Base-Base interactions energy: -753.010 where: short stacking energy: -318.399 Base-Backbone interact. energy: -0.924 local terms energy: -349.459252 where: bonds (distance) C4'-P energy: -70.407 bonds (distance) P-C4' energy: -69.109 flat angles C4'-P-C4' energy: -69.865 flat angles P-C4'-P energy: -42.664 tors. eta vs tors. theta energy: -97.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -1080.098779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.098779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.098779 (E_RNA) where: Base-Base interactions energy: -725.832 where: short stacking energy: -342.385 Base-Backbone interact. energy: -1.503 local terms energy: -352.764550 where: bonds (distance) C4'-P energy: -62.941 bonds (distance) P-C4' energy: -64.173 flat angles C4'-P-C4' energy: -66.248 flat angles P-C4'-P energy: -52.880 tors. eta vs tors. theta energy: -106.522 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: 5 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -1018.400644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.400644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.400644 (E_RNA) where: Base-Base interactions energy: -695.600 where: short stacking energy: -313.669 Base-Backbone interact. energy: -2.158 local terms energy: -320.642694 where: bonds (distance) C4'-P energy: -52.898 bonds (distance) P-C4' energy: -63.196 flat angles C4'-P-C4' energy: -71.446 flat angles P-C4'-P energy: -48.916 tors. eta vs tors. theta energy: -84.185 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: 9 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -1014.030341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.030341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.030341 (E_RNA) where: Base-Base interactions energy: -711.137 where: short stacking energy: -282.891 Base-Backbone interact. energy: -2.040 local terms energy: -300.853452 where: bonds (distance) C4'-P energy: -57.792 bonds (distance) P-C4' energy: -61.217 flat angles C4'-P-C4' energy: -67.445 flat angles P-C4'-P energy: -29.449 tors. eta vs tors. theta energy: -84.951 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: 2 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -870.105724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.105724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.105724 (E_RNA) where: Base-Base interactions energy: -574.026 where: short stacking energy: -255.684 Base-Backbone interact. energy: -0.760 local terms energy: -295.320171 where: bonds (distance) C4'-P energy: -51.779 bonds (distance) P-C4' energy: -56.752 flat angles C4'-P-C4' energy: -73.084 flat angles P-C4'-P energy: -44.396 tors. eta vs tors. theta energy: -69.310 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: 6, replica: 7 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -747.934507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.934507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.934507 (E_RNA) where: Base-Base interactions energy: -473.452 where: short stacking energy: -199.047 Base-Backbone interact. energy: -1.555 local terms energy: -272.927206 where: bonds (distance) C4'-P energy: -52.087 bonds (distance) P-C4' energy: -65.104 flat angles C4'-P-C4' energy: -62.032 flat angles P-C4'-P energy: -43.386 tors. eta vs tors. theta energy: -50.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -642.472680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.472680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.472680 (E_RNA) where: Base-Base interactions energy: -377.307 where: short stacking energy: -159.195 Base-Backbone interact. energy: -3.241 local terms energy: -261.924062 where: bonds (distance) C4'-P energy: -62.733 bonds (distance) P-C4' energy: -60.927 flat angles C4'-P-C4' energy: -65.016 flat angles P-C4'-P energy: -36.920 tors. eta vs tors. theta energy: -36.328 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: 8 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -606.777086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.777086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.777086 (E_RNA) where: Base-Base interactions energy: -358.686 where: short stacking energy: -172.982 Base-Backbone interact. energy: 2.056 local terms energy: -250.147265 where: bonds (distance) C4'-P energy: -65.877 bonds (distance) P-C4' energy: -51.058 flat angles C4'-P-C4' energy: -63.755 flat angles P-C4'-P energy: -35.962 tors. eta vs tors. theta energy: -33.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -284.584200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.584200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.584200 (E_RNA) where: Base-Base interactions energy: -90.310 where: short stacking energy: -84.396 Base-Backbone interact. energy: -1.427 local terms energy: -192.847378 where: bonds (distance) C4'-P energy: -60.807 bonds (distance) P-C4' energy: -62.113 flat angles C4'-P-C4' energy: -44.513 flat angles P-C4'-P energy: -28.574 tors. eta vs tors. theta energy: 3.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -273.811606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.811606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.811606 (E_RNA) where: Base-Base interactions energy: -89.642 where: short stacking energy: -70.273 Base-Backbone interact. energy: 1.011 local terms energy: -185.180576 where: bonds (distance) C4'-P energy: -55.772 bonds (distance) P-C4' energy: -59.890 flat angles C4'-P-C4' energy: -43.156 flat angles P-C4'-P energy: -31.988 tors. eta vs tors. theta energy: 5.625 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: 3 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -1104.222815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.222815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.222815 (E_RNA) where: Base-Base interactions energy: -767.736 where: short stacking energy: -327.513 Base-Backbone interact. energy: -0.706 local terms energy: -335.781216 where: bonds (distance) C4'-P energy: -59.505 bonds (distance) P-C4' energy: -63.456 flat angles C4'-P-C4' energy: -69.950 flat angles P-C4'-P energy: -47.253 tors. eta vs tors. theta energy: -95.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -1060.103570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.103570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.103570 (E_RNA) where: Base-Base interactions energy: -730.009 where: short stacking energy: -317.908 Base-Backbone interact. energy: -1.549 local terms energy: -328.545299 where: bonds (distance) C4'-P energy: -59.258 bonds (distance) P-C4' energy: -57.389 flat angles C4'-P-C4' energy: -72.117 flat angles P-C4'-P energy: -48.498 tors. eta vs tors. theta energy: -91.283 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: 165 Temperature: 1.000000 Total energy: -1040.626231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.626231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.626231 (E_RNA) where: Base-Base interactions energy: -694.498 where: short stacking energy: -314.449 Base-Backbone interact. energy: -0.793 local terms energy: -345.336086 where: bonds (distance) C4'-P energy: -58.866 bonds (distance) P-C4' energy: -64.632 flat angles C4'-P-C4' energy: -77.421 flat angles P-C4'-P energy: -47.079 tors. eta vs tors. theta energy: -97.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -991.337852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.337852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.337852 (E_RNA) where: Base-Base interactions energy: -696.810 where: short stacking energy: -294.133 Base-Backbone interact. energy: -1.418 local terms energy: -293.109709 where: bonds (distance) C4'-P energy: -53.790 bonds (distance) P-C4' energy: -58.456 flat angles C4'-P-C4' energy: -63.238 flat angles P-C4'-P energy: -32.003 tors. eta vs tors. theta energy: -85.623 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: 165 Temperature: 1.100000 Total energy: -872.745741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.745741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.745741 (E_RNA) where: Base-Base interactions energy: -592.286 where: short stacking energy: -278.331 Base-Backbone interact. energy: -0.091 local terms energy: -280.368136 where: bonds (distance) C4'-P energy: -49.295 bonds (distance) P-C4' energy: -48.921 flat angles C4'-P-C4' energy: -66.084 flat angles P-C4'-P energy: -41.123 tors. eta vs tors. theta energy: -74.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -791.947784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.947784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.947784 (E_RNA) where: Base-Base interactions energy: -531.795 where: short stacking energy: -231.223 Base-Backbone interact. energy: -0.957 local terms energy: -259.196108 where: bonds (distance) C4'-P energy: -50.322 bonds (distance) P-C4' energy: -57.856 flat angles C4'-P-C4' energy: -60.535 flat angles P-C4'-P energy: -33.389 tors. eta vs tors. theta energy: -57.095 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: 6 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -676.130638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.130638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.130638 (E_RNA) where: Base-Base interactions energy: -407.881 where: short stacking energy: -215.191 Base-Backbone interact. energy: 1.035 local terms energy: -269.285082 where: bonds (distance) C4'-P energy: -43.567 bonds (distance) P-C4' energy: -65.398 flat angles C4'-P-C4' energy: -62.187 flat angles P-C4'-P energy: -41.507 tors. eta vs tors. theta energy: -56.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -612.503258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.503258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.503258 (E_RNA) where: Base-Base interactions energy: -355.863 where: short stacking energy: -185.974 Base-Backbone interact. energy: -0.160 local terms energy: -256.481116 where: bonds (distance) C4'-P energy: -44.876 bonds (distance) P-C4' energy: -68.416 flat angles C4'-P-C4' energy: -60.237 flat angles P-C4'-P energy: -39.149 tors. eta vs tors. theta energy: -43.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -284.496848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.496848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.496848 (E_RNA) where: Base-Base interactions energy: -102.972 where: short stacking energy: -77.817 Base-Backbone interact. energy: -0.780 local terms energy: -180.745042 where: bonds (distance) C4'-P energy: -55.564 bonds (distance) P-C4' energy: -47.042 flat angles C4'-P-C4' energy: -52.032 flat angles P-C4'-P energy: -34.985 tors. eta vs tors. theta energy: 8.878 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: 4 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -268.125268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.125268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.125268 (E_RNA) where: Base-Base interactions energy: -81.504 where: short stacking energy: -72.338 Base-Backbone interact. energy: 0.664 local terms energy: -187.285250 where: bonds (distance) C4'-P energy: -51.070 bonds (distance) P-C4' energy: -66.026 flat angles C4'-P-C4' energy: -41.675 flat angles P-C4'-P energy: -30.918 tors. eta vs tors. theta energy: 2.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -1114.283935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.283935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.283935 (E_RNA) where: Base-Base interactions energy: -764.390 where: short stacking energy: -321.880 Base-Backbone interact. energy: -0.392 local terms energy: -349.501404 where: bonds (distance) C4'-P energy: -71.061 bonds (distance) P-C4' energy: -71.600 flat angles C4'-P-C4' energy: -69.830 flat angles P-C4'-P energy: -48.331 tors. eta vs tors. theta energy: -88.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -1078.191653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.191653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.191653 (E_RNA) where: Base-Base interactions energy: -734.449 where: short stacking energy: -319.142 Base-Backbone interact. energy: -1.148 local terms energy: -342.594902 where: bonds (distance) C4'-P energy: -68.498 bonds (distance) P-C4' energy: -67.935 flat angles C4'-P-C4' energy: -68.515 flat angles P-C4'-P energy: -42.636 tors. eta vs tors. theta energy: -95.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -1044.270271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.270271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.270271 (E_RNA) where: Base-Base interactions energy: -718.812 where: short stacking energy: -315.411 Base-Backbone interact. energy: 0.291 local terms energy: -325.749257 where: bonds (distance) C4'-P energy: -56.540 bonds (distance) P-C4' energy: -61.134 flat angles C4'-P-C4' energy: -69.003 flat angles P-C4'-P energy: -48.146 tors. eta vs tors. theta energy: -90.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -988.157659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.157659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.157659 (E_RNA) where: Base-Base interactions energy: -678.493 where: short stacking energy: -267.181 Base-Backbone interact. energy: -3.200 local terms energy: -306.464533 where: bonds (distance) C4'-P energy: -66.599 bonds (distance) P-C4' energy: -59.963 flat angles C4'-P-C4' energy: -59.834 flat angles P-C4'-P energy: -39.687 tors. eta vs tors. theta energy: -80.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -894.455310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.455310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.455310 (E_RNA) where: Base-Base interactions energy: -601.631 where: short stacking energy: -264.322 Base-Backbone interact. energy: -1.180 local terms energy: -291.643685 where: bonds (distance) C4'-P energy: -56.092 bonds (distance) P-C4' energy: -56.683 flat angles C4'-P-C4' energy: -71.918 flat angles P-C4'-P energy: -33.512 tors. eta vs tors. theta energy: -73.438 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: 166 Temperature: 1.150000 Total energy: -778.897397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.897397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.897397 (E_RNA) where: Base-Base interactions energy: -506.944 where: short stacking energy: -230.101 Base-Backbone interact. energy: -0.798 local terms energy: -271.155163 where: bonds (distance) C4'-P energy: -48.069 bonds (distance) P-C4' energy: -61.977 flat angles C4'-P-C4' energy: -51.069 flat angles P-C4'-P energy: -45.217 tors. eta vs tors. theta energy: -64.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -666.802388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.802388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.802388 (E_RNA) where: Base-Base interactions energy: -413.726 where: short stacking energy: -184.559 Base-Backbone interact. energy: 3.231 local terms energy: -256.307840 where: bonds (distance) C4'-P energy: -57.929 bonds (distance) P-C4' energy: -61.651 flat angles C4'-P-C4' energy: -57.318 flat angles P-C4'-P energy: -41.853 tors. eta vs tors. theta energy: -37.556 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: 166 Temperature: 1.250000 Total energy: -613.813441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.813441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.813441 (E_RNA) where: Base-Base interactions energy: -394.630 where: short stacking energy: -198.838 Base-Backbone interact. energy: -1.303 local terms energy: -217.879799 where: bonds (distance) C4'-P energy: -44.780 bonds (distance) P-C4' energy: -42.793 flat angles C4'-P-C4' energy: -55.818 flat angles P-C4'-P energy: -24.976 tors. eta vs tors. theta energy: -49.514 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: 10 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -266.406519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.406519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.406519 (E_RNA) where: Base-Base interactions energy: -85.886 where: short stacking energy: -67.062 Base-Backbone interact. energy: 0.879 local terms energy: -181.400006 where: bonds (distance) C4'-P energy: -52.860 bonds (distance) P-C4' energy: -62.619 flat angles C4'-P-C4' energy: -50.868 flat angles P-C4'-P energy: -23.081 tors. eta vs tors. theta energy: 8.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -292.751734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.751734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.751734 (E_RNA) where: Base-Base interactions energy: -114.617 where: short stacking energy: -90.038 Base-Backbone interact. energy: 4.333 local terms energy: -182.467957 where: bonds (distance) C4'-P energy: -50.343 bonds (distance) P-C4' energy: -56.114 flat angles C4'-P-C4' energy: -50.514 flat angles P-C4'-P energy: -27.608 tors. eta vs tors. theta energy: 2.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -1103.037543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.037543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.037543 (E_RNA) where: Base-Base interactions energy: -759.435 where: short stacking energy: -325.731 Base-Backbone interact. energy: 1.192 local terms energy: -344.794947 where: bonds (distance) C4'-P energy: -63.166 bonds (distance) P-C4' energy: -67.636 flat angles C4'-P-C4' energy: -73.339 flat angles P-C4'-P energy: -50.055 tors. eta vs tors. theta energy: -90.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -1068.646665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.646665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.646665 (E_RNA) where: Base-Base interactions energy: -729.316 where: short stacking energy: -323.355 Base-Backbone interact. energy: -0.732 local terms energy: -338.599007 where: bonds (distance) C4'-P energy: -63.926 bonds (distance) P-C4' energy: -58.985 flat angles C4'-P-C4' energy: -69.693 flat angles P-C4'-P energy: -54.106 tors. eta vs tors. theta energy: -91.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -1042.136307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.136307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.136307 (E_RNA) where: Base-Base interactions energy: -709.585 where: short stacking energy: -315.524 Base-Backbone interact. energy: -0.705 local terms energy: -331.846031 where: bonds (distance) C4'-P energy: -58.400 bonds (distance) P-C4' energy: -53.084 flat angles C4'-P-C4' energy: -73.911 flat angles P-C4'-P energy: -47.376 tors. eta vs tors. theta energy: -99.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -1021.341379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.341379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.341379 (E_RNA) where: Base-Base interactions energy: -696.837 where: short stacking energy: -304.539 Base-Backbone interact. energy: -2.555 local terms energy: -321.949767 where: bonds (distance) C4'-P energy: -62.638 bonds (distance) P-C4' energy: -66.823 flat angles C4'-P-C4' energy: -72.883 flat angles P-C4'-P energy: -38.387 tors. eta vs tors. theta energy: -81.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -878.086673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.086673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.086673 (E_RNA) where: Base-Base interactions energy: -588.905 where: short stacking energy: -249.402 Base-Backbone interact. energy: -1.258 local terms energy: -287.923145 where: bonds (distance) C4'-P energy: -51.028 bonds (distance) P-C4' energy: -65.088 flat angles C4'-P-C4' energy: -63.449 flat angles P-C4'-P energy: -41.403 tors. eta vs tors. theta energy: -66.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -788.993874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.993874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.993874 (E_RNA) where: Base-Base interactions energy: -530.965 where: short stacking energy: -231.373 Base-Backbone interact. energy: -0.038 local terms energy: -257.991127 where: bonds (distance) C4'-P energy: -59.980 bonds (distance) P-C4' energy: -55.508 flat angles C4'-P-C4' energy: -49.810 flat angles P-C4'-P energy: -40.439 tors. eta vs tors. theta energy: -52.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -667.257526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.257526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.257526 (E_RNA) where: Base-Base interactions energy: -418.948 where: short stacking energy: -192.619 Base-Backbone interact. energy: -3.825 local terms energy: -244.483847 where: bonds (distance) C4'-P energy: -47.511 bonds (distance) P-C4' energy: -59.948 flat angles C4'-P-C4' energy: -50.916 flat angles P-C4'-P energy: -39.811 tors. eta vs tors. theta energy: -46.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -600.098924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.098924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.098924 (E_RNA) where: Base-Base interactions energy: -360.556 where: short stacking energy: -167.204 Base-Backbone interact. energy: -0.613 local terms energy: -238.929482 where: bonds (distance) C4'-P energy: -47.203 bonds (distance) P-C4' energy: -56.943 flat angles C4'-P-C4' energy: -59.596 flat angles P-C4'-P energy: -37.259 tors. eta vs tors. theta energy: -37.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -286.777082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.777082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.777082 (E_RNA) where: Base-Base interactions energy: -106.081 where: short stacking energy: -84.747 Base-Backbone interact. energy: -2.425 local terms energy: -178.271237 where: bonds (distance) C4'-P energy: -55.132 bonds (distance) P-C4' energy: -55.563 flat angles C4'-P-C4' energy: -42.495 flat angles P-C4'-P energy: -31.287 tors. eta vs tors. theta energy: 6.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -260.486356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.486356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.486356 (E_RNA) where: Base-Base interactions energy: -101.315 where: short stacking energy: -93.771 Base-Backbone interact. energy: -1.732 local terms energy: -157.439073 where: bonds (distance) C4'-P energy: -44.735 bonds (distance) P-C4' energy: -44.772 flat angles C4'-P-C4' energy: -36.231 flat angles P-C4'-P energy: -28.390 tors. eta vs tors. theta energy: -3.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -1102.363252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.363252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.363252 (E_RNA) where: Base-Base interactions energy: -763.452 where: short stacking energy: -299.417 Base-Backbone interact. energy: -0.999 local terms energy: -337.912126 where: bonds (distance) C4'-P energy: -66.015 bonds (distance) P-C4' energy: -64.173 flat angles C4'-P-C4' energy: -71.612 flat angles P-C4'-P energy: -46.271 tors. eta vs tors. theta energy: -89.841 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: 2, replica: 1 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -1080.854984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.854984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.854984 (E_RNA) where: Base-Base interactions energy: -736.516 where: short stacking energy: -333.392 Base-Backbone interact. energy: 0.318 local terms energy: -344.657281 where: bonds (distance) C4'-P energy: -67.388 bonds (distance) P-C4' energy: -63.536 flat angles C4'-P-C4' energy: -67.023 flat angles P-C4'-P energy: -49.212 tors. eta vs tors. theta energy: -97.498 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: 3, replica: 5 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -1041.286638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.286638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.286638 (E_RNA) where: Base-Base interactions energy: -713.574 where: short stacking energy: -323.714 Base-Backbone interact. energy: -0.592 local terms energy: -327.121151 where: bonds (distance) C4'-P energy: -57.125 bonds (distance) P-C4' energy: -70.545 flat angles C4'-P-C4' energy: -67.463 flat angles P-C4'-P energy: -38.528 tors. eta vs tors. theta energy: -93.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -1005.211396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.211396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.211396 (E_RNA) where: Base-Base interactions energy: -676.829 where: short stacking energy: -302.640 Base-Backbone interact. energy: -2.207 local terms energy: -326.174779 where: bonds (distance) C4'-P energy: -55.813 bonds (distance) P-C4' energy: -64.367 flat angles C4'-P-C4' energy: -71.404 flat angles P-C4'-P energy: -49.557 tors. eta vs tors. theta energy: -85.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -866.961647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.961647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.961647 (E_RNA) where: Base-Base interactions energy: -581.759 where: short stacking energy: -259.300 Base-Backbone interact. energy: 0.501 local terms energy: -285.704218 where: bonds (distance) C4'-P energy: -52.576 bonds (distance) P-C4' energy: -55.931 flat angles C4'-P-C4' energy: -63.552 flat angles P-C4'-P energy: -44.684 tors. eta vs tors. theta energy: -68.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -799.939889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.939889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.939889 (E_RNA) where: Base-Base interactions energy: -522.496 where: short stacking energy: -217.271 Base-Backbone interact. energy: -2.976 local terms energy: -274.467581 where: bonds (distance) C4'-P energy: -50.600 bonds (distance) P-C4' energy: -59.392 flat angles C4'-P-C4' energy: -59.854 flat angles P-C4'-P energy: -44.890 tors. eta vs tors. theta energy: -59.732 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: 168 Temperature: 1.200000 Total energy: -643.749106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.749106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.749106 (E_RNA) where: Base-Base interactions energy: -412.296 where: short stacking energy: -203.736 Base-Backbone interact. energy: -1.240 local terms energy: -230.212338 where: bonds (distance) C4'-P energy: -43.133 bonds (distance) P-C4' energy: -58.523 flat angles C4'-P-C4' energy: -52.546 flat angles P-C4'-P energy: -30.841 tors. eta vs tors. theta energy: -45.169 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: 8 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -608.887607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.887607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.887607 (E_RNA) where: Base-Base interactions energy: -373.559 where: short stacking energy: -193.256 Base-Backbone interact. energy: -0.329 local terms energy: -234.999791 where: bonds (distance) C4'-P energy: -62.250 bonds (distance) P-C4' energy: -66.920 flat angles C4'-P-C4' energy: -40.539 flat angles P-C4'-P energy: -19.852 tors. eta vs tors. theta energy: -45.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -335.511758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.511758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.511758 (E_RNA) where: Base-Base interactions energy: -132.846 where: short stacking energy: -73.436 Base-Backbone interact. energy: 1.151 local terms energy: -203.817155 where: bonds (distance) C4'-P energy: -57.127 bonds (distance) P-C4' energy: -62.516 flat angles C4'-P-C4' energy: -48.042 flat angles P-C4'-P energy: -39.333 tors. eta vs tors. theta energy: 3.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -264.597196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.597196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.597196 (E_RNA) where: Base-Base interactions energy: -101.140 where: short stacking energy: -87.872 Base-Backbone interact. energy: -1.718 local terms energy: -161.739295 where: bonds (distance) C4'-P energy: -42.752 bonds (distance) P-C4' energy: -67.055 flat angles C4'-P-C4' energy: -52.390 flat angles P-C4'-P energy: -10.339 tors. eta vs tors. theta energy: 10.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -1093.575516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.575516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.575516 (E_RNA) where: Base-Base interactions energy: -758.808 where: short stacking energy: -304.865 Base-Backbone interact. energy: -1.921 local terms energy: -332.846501 where: bonds (distance) C4'-P energy: -66.520 bonds (distance) P-C4' energy: -56.052 flat angles C4'-P-C4' energy: -71.168 flat angles P-C4'-P energy: -45.584 tors. eta vs tors. theta energy: -93.523 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: 1 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -1074.833663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.833663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.833663 (E_RNA) where: Base-Base interactions energy: -735.587 where: short stacking energy: -325.514 Base-Backbone interact. energy: -1.216 local terms energy: -338.029948 where: bonds (distance) C4'-P energy: -61.129 bonds (distance) P-C4' energy: -57.653 flat angles C4'-P-C4' energy: -68.801 flat angles P-C4'-P energy: -50.097 tors. eta vs tors. theta energy: -100.349 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: 5 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -1036.712303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.712303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.712303 (E_RNA) where: Base-Base interactions energy: -707.963 where: short stacking energy: -300.315 Base-Backbone interact. energy: -2.165 local terms energy: -326.584367 where: bonds (distance) C4'-P energy: -62.311 bonds (distance) P-C4' energy: -51.281 flat angles C4'-P-C4' energy: -70.815 flat angles P-C4'-P energy: -54.063 tors. eta vs tors. theta energy: -88.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -1002.528157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.528157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.528157 (E_RNA) where: Base-Base interactions energy: -681.295 where: short stacking energy: -299.566 Base-Backbone interact. energy: -3.155 local terms energy: -318.077656 where: bonds (distance) C4'-P energy: -61.356 bonds (distance) P-C4' energy: -58.194 flat angles C4'-P-C4' energy: -69.229 flat angles P-C4'-P energy: -38.382 tors. eta vs tors. theta energy: -90.917 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: 2 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -831.142580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.142580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.142580 (E_RNA) where: Base-Base interactions energy: -545.328 where: short stacking energy: -222.675 Base-Backbone interact. energy: -2.242 local terms energy: -283.572797 where: bonds (distance) C4'-P energy: -54.468 bonds (distance) P-C4' energy: -68.349 flat angles C4'-P-C4' energy: -58.228 flat angles P-C4'-P energy: -48.126 tors. eta vs tors. theta energy: -54.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -803.022185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.022185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.022185 (E_RNA) where: Base-Base interactions energy: -531.683 where: short stacking energy: -225.489 Base-Backbone interact. energy: -1.302 local terms energy: -270.037141 where: bonds (distance) C4'-P energy: -52.652 bonds (distance) P-C4' energy: -52.871 flat angles C4'-P-C4' energy: -62.292 flat angles P-C4'-P energy: -41.420 tors. eta vs tors. theta energy: -60.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -641.439962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.439962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.439962 (E_RNA) where: Base-Base interactions energy: -407.931 where: short stacking energy: -194.636 Base-Backbone interact. energy: -2.272 local terms energy: -231.237665 where: bonds (distance) C4'-P energy: -62.838 bonds (distance) P-C4' energy: -48.574 flat angles C4'-P-C4' energy: -50.383 flat angles P-C4'-P energy: -33.153 tors. eta vs tors. theta energy: -36.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -601.691157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.691157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.691157 (E_RNA) where: Base-Base interactions energy: -386.874 where: short stacking energy: -168.085 Base-Backbone interact. energy: 0.447 local terms energy: -215.264470 where: bonds (distance) C4'-P energy: -42.679 bonds (distance) P-C4' energy: -59.816 flat angles C4'-P-C4' energy: -52.432 flat angles P-C4'-P energy: -33.201 tors. eta vs tors. theta energy: -27.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -332.480662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.480662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.480662 (E_RNA) where: Base-Base interactions energy: -152.875 where: short stacking energy: -111.793 Base-Backbone interact. energy: -1.015 local terms energy: -178.590295 where: bonds (distance) C4'-P energy: -55.937 bonds (distance) P-C4' energy: -51.002 flat angles C4'-P-C4' energy: -38.706 flat angles P-C4'-P energy: -28.037 tors. eta vs tors. theta energy: -4.907 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: 10, replica: 4 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -260.409053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.409053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.409053 (E_RNA) where: Base-Base interactions energy: -75.370 where: short stacking energy: -63.959 Base-Backbone interact. energy: -2.428 local terms energy: -182.611316 where: bonds (distance) C4'-P energy: -52.069 bonds (distance) P-C4' energy: -68.235 flat angles C4'-P-C4' energy: -41.650 flat angles P-C4'-P energy: -17.910 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: 1, replica: 3 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -1123.324681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.324681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.324681 (E_RNA) where: Base-Base interactions energy: -774.744 where: short stacking energy: -322.280 Base-Backbone interact. energy: -2.147 local terms energy: -346.433559 where: bonds (distance) C4'-P energy: -69.575 bonds (distance) P-C4' energy: -65.385 flat angles C4'-P-C4' energy: -60.541 flat angles P-C4'-P energy: -55.541 tors. eta vs tors. theta energy: -95.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -1093.320832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.320832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.320832 (E_RNA) where: Base-Base interactions energy: -740.625 where: short stacking energy: -326.968 Base-Backbone interact. energy: 0.371 local terms energy: -353.066990 where: bonds (distance) C4'-P energy: -59.611 bonds (distance) P-C4' energy: -55.682 flat angles C4'-P-C4' energy: -70.819 flat angles P-C4'-P energy: -61.282 tors. eta vs tors. theta energy: -105.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -1044.253625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.253625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.253625 (E_RNA) where: Base-Base interactions energy: -711.993 where: short stacking energy: -306.441 Base-Backbone interact. energy: -1.272 local terms energy: -330.989297 where: bonds (distance) C4'-P energy: -64.691 bonds (distance) P-C4' energy: -56.473 flat angles C4'-P-C4' energy: -72.650 flat angles P-C4'-P energy: -49.712 tors. eta vs tors. theta energy: -87.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -1011.774439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.774439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.774439 (E_RNA) where: Base-Base interactions energy: -689.643 where: short stacking energy: -285.377 Base-Backbone interact. energy: -0.970 local terms energy: -321.162385 where: bonds (distance) C4'-P energy: -61.070 bonds (distance) P-C4' energy: -62.150 flat angles C4'-P-C4' energy: -71.163 flat angles P-C4'-P energy: -33.568 tors. eta vs tors. theta energy: -93.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -845.688418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.688418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.688418 (E_RNA) where: Base-Base interactions energy: -556.265 where: short stacking energy: -249.935 Base-Backbone interact. energy: 1.080 local terms energy: -290.503447 where: bonds (distance) C4'-P energy: -54.258 bonds (distance) P-C4' energy: -59.605 flat angles C4'-P-C4' energy: -69.211 flat angles P-C4'-P energy: -31.607 tors. eta vs tors. theta energy: -75.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -851.067046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.067046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.067046 (E_RNA) where: Base-Base interactions energy: -578.850 where: short stacking energy: -253.730 Base-Backbone interact. energy: -1.119 local terms energy: -271.098586 where: bonds (distance) C4'-P energy: -56.106 bonds (distance) P-C4' energy: -55.087 flat angles C4'-P-C4' energy: -59.371 flat angles P-C4'-P energy: -35.667 tors. eta vs tors. theta energy: -64.867 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: 6 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -677.789609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.789609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.789609 (E_RNA) where: Base-Base interactions energy: -423.913 where: short stacking energy: -196.371 Base-Backbone interact. energy: -1.883 local terms energy: -251.994202 where: bonds (distance) C4'-P energy: -54.625 bonds (distance) P-C4' energy: -56.878 flat angles C4'-P-C4' energy: -54.550 flat angles P-C4'-P energy: -42.432 tors. eta vs tors. theta energy: -43.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -614.035464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.035464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.035464 (E_RNA) where: Base-Base interactions energy: -366.981 where: short stacking energy: -175.242 Base-Backbone interact. energy: 0.390 local terms energy: -247.444422 where: bonds (distance) C4'-P energy: -37.409 bonds (distance) P-C4' energy: -67.915 flat angles C4'-P-C4' energy: -63.677 flat angles P-C4'-P energy: -38.291 tors. eta vs tors. theta energy: -40.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -295.241072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.241072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.241072 (E_RNA) where: Base-Base interactions energy: -112.670 where: short stacking energy: -103.786 Base-Backbone interact. energy: -1.647 local terms energy: -180.924392 where: bonds (distance) C4'-P energy: -51.051 bonds (distance) P-C4' energy: -41.895 flat angles C4'-P-C4' energy: -53.926 flat angles P-C4'-P energy: -27.467 tors. eta vs tors. theta energy: -6.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -288.433656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.433656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.433656 (E_RNA) where: Base-Base interactions energy: -118.752 where: short stacking energy: -85.164 Base-Backbone interact. energy: -2.149 local terms energy: -167.532171 where: bonds (distance) C4'-P energy: -45.268 bonds (distance) P-C4' energy: -55.040 flat angles C4'-P-C4' energy: -41.384 flat angles P-C4'-P energy: -28.645 tors. eta vs tors. theta energy: 2.804 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: 3 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -1114.870764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.870764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.870764 (E_RNA) where: Base-Base interactions energy: -781.189 where: short stacking energy: -328.287 Base-Backbone interact. energy: -0.866 local terms energy: -332.815427 where: bonds (distance) C4'-P energy: -53.703 bonds (distance) P-C4' energy: -59.408 flat angles C4'-P-C4' energy: -70.286 flat angles P-C4'-P energy: -53.948 tors. eta vs tors. theta energy: -95.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -1083.556127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.556127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.556127 (E_RNA) where: Base-Base interactions energy: -728.558 where: short stacking energy: -335.956 Base-Backbone interact. energy: 0.726 local terms energy: -355.723289 where: bonds (distance) C4'-P energy: -68.204 bonds (distance) P-C4' energy: -62.079 flat angles C4'-P-C4' energy: -72.202 flat angles P-C4'-P energy: -46.126 tors. eta vs tors. theta energy: -107.113 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: 5 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -1045.227475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.227475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.227475 (E_RNA) where: Base-Base interactions energy: -719.326 where: short stacking energy: -309.371 Base-Backbone interact. energy: -1.415 local terms energy: -324.486162 where: bonds (distance) C4'-P energy: -62.636 bonds (distance) P-C4' energy: -52.008 flat angles C4'-P-C4' energy: -73.387 flat angles P-C4'-P energy: -49.698 tors. eta vs tors. theta energy: -86.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -1010.119266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.119266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.119266 (E_RNA) where: Base-Base interactions energy: -697.437 where: short stacking energy: -294.602 Base-Backbone interact. energy: -2.083 local terms energy: -310.599212 where: bonds (distance) C4'-P energy: -68.787 bonds (distance) P-C4' energy: -61.949 flat angles C4'-P-C4' energy: -58.994 flat angles P-C4'-P energy: -42.399 tors. eta vs tors. theta energy: -78.470 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: 7 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -850.874564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.874564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.874564 (E_RNA) where: Base-Base interactions energy: -554.391 where: short stacking energy: -247.684 Base-Backbone interact. energy: 0.192 local terms energy: -296.675767 where: bonds (distance) C4'-P energy: -54.837 bonds (distance) P-C4' energy: -67.863 flat angles C4'-P-C4' energy: -57.090 flat angles P-C4'-P energy: -44.808 tors. eta vs tors. theta energy: -72.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -818.151101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.151101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.151101 (E_RNA) where: Base-Base interactions energy: -561.220 where: short stacking energy: -232.846 Base-Backbone interact. energy: -0.409 local terms energy: -256.522075 where: bonds (distance) C4'-P energy: -52.569 bonds (distance) P-C4' energy: -52.381 flat angles C4'-P-C4' energy: -61.037 flat angles P-C4'-P energy: -38.644 tors. eta vs tors. theta energy: -51.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -665.520880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.520880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.520880 (E_RNA) where: Base-Base interactions energy: -405.000 where: short stacking energy: -194.265 Base-Backbone interact. energy: -0.534 local terms energy: -259.986318 where: bonds (distance) C4'-P energy: -57.359 bonds (distance) P-C4' energy: -52.523 flat angles C4'-P-C4' energy: -57.263 flat angles P-C4'-P energy: -42.974 tors. eta vs tors. theta energy: -49.867 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: 8 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -611.362182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.362182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.362182 (E_RNA) where: Base-Base interactions energy: -382.997 where: short stacking energy: -182.879 Base-Backbone interact. energy: -0.330 local terms energy: -228.034997 where: bonds (distance) C4'-P energy: -46.186 bonds (distance) P-C4' energy: -54.113 flat angles C4'-P-C4' energy: -63.365 flat angles P-C4'-P energy: -26.381 tors. eta vs tors. theta energy: -37.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -299.964213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.964213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.964213 (E_RNA) where: Base-Base interactions energy: -119.060 where: short stacking energy: -83.645 Base-Backbone interact. energy: -0.757 local terms energy: -180.146830 where: bonds (distance) C4'-P energy: -53.172 bonds (distance) P-C4' energy: -55.340 flat angles C4'-P-C4' energy: -46.500 flat angles P-C4'-P energy: -29.365 tors. eta vs tors. theta energy: 4.230 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: 4 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -286.085846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.085846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.085846 (E_RNA) where: Base-Base interactions energy: -119.066 where: short stacking energy: -83.424 Base-Backbone interact. energy: 0.207 local terms energy: -167.226845 where: bonds (distance) C4'-P energy: -55.105 bonds (distance) P-C4' energy: -44.203 flat angles C4'-P-C4' energy: -41.285 flat angles P-C4'-P energy: -23.674 tors. eta vs tors. theta energy: -2.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -1116.884392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.884392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.884392 (E_RNA) where: Base-Base interactions energy: -769.627 where: short stacking energy: -321.386 Base-Backbone interact. energy: -1.454 local terms energy: -345.804210 where: bonds (distance) C4'-P energy: -66.459 bonds (distance) P-C4' energy: -65.449 flat angles C4'-P-C4' energy: -70.927 flat angles P-C4'-P energy: -50.463 tors. eta vs tors. theta energy: -92.506 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: 1 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -1047.226034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.226034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.226034 (E_RNA) where: Base-Base interactions energy: -703.898 where: short stacking energy: -318.611 Base-Backbone interact. energy: -1.456 local terms energy: -341.872363 where: bonds (distance) C4'-P energy: -63.620 bonds (distance) P-C4' energy: -60.899 flat angles C4'-P-C4' energy: -71.633 flat angles P-C4'-P energy: -51.956 tors. eta vs tors. theta energy: -93.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -1042.158807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.158807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.158807 (E_RNA) where: Base-Base interactions energy: -707.096 where: short stacking energy: -312.380 Base-Backbone interact. energy: 0.581 local terms energy: -335.644037 where: bonds (distance) C4'-P energy: -64.840 bonds (distance) P-C4' energy: -58.139 flat angles C4'-P-C4' energy: -70.676 flat angles P-C4'-P energy: -48.164 tors. eta vs tors. theta energy: -93.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -1013.960128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.960128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.960128 (E_RNA) where: Base-Base interactions energy: -693.335 where: short stacking energy: -279.634 Base-Backbone interact. energy: -3.130 local terms energy: -317.495611 where: bonds (distance) C4'-P energy: -59.369 bonds (distance) P-C4' energy: -67.500 flat angles C4'-P-C4' energy: -64.308 flat angles P-C4'-P energy: -35.419 tors. eta vs tors. theta energy: -90.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -886.377286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.377286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.377286 (E_RNA) where: Base-Base interactions energy: -570.170 where: short stacking energy: -258.952 Base-Backbone interact. energy: 1.769 local terms energy: -317.976852 where: bonds (distance) C4'-P energy: -64.082 bonds (distance) P-C4' energy: -65.371 flat angles C4'-P-C4' energy: -72.601 flat angles P-C4'-P energy: -38.193 tors. eta vs tors. theta energy: -77.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -811.750109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.750109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.750109 (E_RNA) where: Base-Base interactions energy: -550.525 where: short stacking energy: -250.158 Base-Backbone interact. energy: -0.176 local terms energy: -261.048254 where: bonds (distance) C4'-P energy: -50.957 bonds (distance) P-C4' energy: -59.092 flat angles C4'-P-C4' energy: -56.698 flat angles P-C4'-P energy: -32.024 tors. eta vs tors. theta energy: -62.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -660.615954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.615954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.615954 (E_RNA) where: Base-Base interactions energy: -420.486 where: short stacking energy: -204.234 Base-Backbone interact. energy: -1.086 local terms energy: -239.043889 where: bonds (distance) C4'-P energy: -48.515 bonds (distance) P-C4' energy: -52.315 flat angles C4'-P-C4' energy: -64.143 flat angles P-C4'-P energy: -27.998 tors. eta vs tors. theta energy: -46.073 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: 8 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -618.863109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.863109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.863109 (E_RNA) where: Base-Base interactions energy: -372.279 where: short stacking energy: -195.260 Base-Backbone interact. energy: -0.646 local terms energy: -245.938633 where: bonds (distance) C4'-P energy: -57.216 bonds (distance) P-C4' energy: -55.296 flat angles C4'-P-C4' energy: -56.947 flat angles P-C4'-P energy: -34.193 tors. eta vs tors. theta energy: -42.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -328.046400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.046400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.046400 (E_RNA) where: Base-Base interactions energy: -135.357 where: short stacking energy: -87.365 Base-Backbone interact. energy: 4.709 local terms energy: -197.398451 where: bonds (distance) C4'-P energy: -53.727 bonds (distance) P-C4' energy: -58.195 flat angles C4'-P-C4' energy: -52.451 flat angles P-C4'-P energy: -33.493 tors. eta vs tors. theta energy: 0.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -277.722668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.722668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.722668 (E_RNA) where: Base-Base interactions energy: -87.381 where: short stacking energy: -86.959 Base-Backbone interact. energy: -0.890 local terms energy: -189.451454 where: bonds (distance) C4'-P energy: -52.669 bonds (distance) P-C4' energy: -60.492 flat angles C4'-P-C4' energy: -46.715 flat angles P-C4'-P energy: -26.414 tors. eta vs tors. theta energy: -3.162 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: 173 Temperature: 0.900000 Total energy: -1118.805355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.805355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.805355 (E_RNA) where: Base-Base interactions energy: -769.822 where: short stacking energy: -324.071 Base-Backbone interact. energy: -1.741 local terms energy: -347.241752 where: bonds (distance) C4'-P energy: -61.767 bonds (distance) P-C4' energy: -66.351 flat angles C4'-P-C4' energy: -70.957 flat angles P-C4'-P energy: -50.956 tors. eta vs tors. theta energy: -97.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -1045.205743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.205743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.205743 (E_RNA) where: Base-Base interactions energy: -698.014 where: short stacking energy: -309.457 Base-Backbone interact. energy: -1.313 local terms energy: -345.879375 where: bonds (distance) C4'-P energy: -69.479 bonds (distance) P-C4' energy: -66.020 flat angles C4'-P-C4' energy: -69.233 flat angles P-C4'-P energy: -44.568 tors. eta vs tors. theta energy: -96.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -1047.672106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.672106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.672106 (E_RNA) where: Base-Base interactions energy: -703.356 where: short stacking energy: -294.389 Base-Backbone interact. energy: -3.594 local terms energy: -340.722365 where: bonds (distance) C4'-P energy: -68.074 bonds (distance) P-C4' energy: -65.290 flat angles C4'-P-C4' energy: -66.843 flat angles P-C4'-P energy: -49.282 tors. eta vs tors. theta energy: -91.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -1008.678138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.678138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.678138 (E_RNA) where: Base-Base interactions energy: -699.255 where: short stacking energy: -303.172 Base-Backbone interact. energy: 1.546 local terms energy: -310.969329 where: bonds (distance) C4'-P energy: -46.445 bonds (distance) P-C4' energy: -51.820 flat angles C4'-P-C4' energy: -71.693 flat angles P-C4'-P energy: -48.952 tors. eta vs tors. theta energy: -92.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -852.681466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.681466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.681466 (E_RNA) where: Base-Base interactions energy: -558.246 where: short stacking energy: -256.571 Base-Backbone interact. energy: -0.705 local terms energy: -293.730730 where: bonds (distance) C4'-P energy: -43.103 bonds (distance) P-C4' energy: -63.086 flat angles C4'-P-C4' energy: -68.181 flat angles P-C4'-P energy: -44.533 tors. eta vs tors. theta energy: -74.828 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: 6, replica: 2 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -833.387207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.387207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.387207 (E_RNA) where: Base-Base interactions energy: -559.341 where: short stacking energy: -239.628 Base-Backbone interact. energy: -1.545 local terms energy: -272.501224 where: bonds (distance) C4'-P energy: -59.329 bonds (distance) P-C4' energy: -66.674 flat angles C4'-P-C4' energy: -57.827 flat angles P-C4'-P energy: -30.686 tors. eta vs tors. theta energy: -57.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -642.242620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.242620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.242620 (E_RNA) where: Base-Base interactions energy: -419.872 where: short stacking energy: -204.651 Base-Backbone interact. energy: -1.087 local terms energy: -221.283554 where: bonds (distance) C4'-P energy: -55.002 bonds (distance) P-C4' energy: -34.250 flat angles C4'-P-C4' energy: -61.164 flat angles P-C4'-P energy: -27.270 tors. eta vs tors. theta energy: -43.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -655.468851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.468851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.468851 (E_RNA) where: Base-Base interactions energy: -400.443 where: short stacking energy: -209.201 Base-Backbone interact. energy: -1.261 local terms energy: -253.765430 where: bonds (distance) C4'-P energy: -48.393 bonds (distance) P-C4' energy: -52.761 flat angles C4'-P-C4' energy: -61.001 flat angles P-C4'-P energy: -40.880 tors. eta vs tors. theta energy: -50.731 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: 10 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -314.788642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.788642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.788642 (E_RNA) where: Base-Base interactions energy: -158.380 where: short stacking energy: -110.466 Base-Backbone interact. energy: 10.068 local terms energy: -166.476833 where: bonds (distance) C4'-P energy: -60.356 bonds (distance) P-C4' energy: -57.597 flat angles C4'-P-C4' energy: -33.756 flat angles P-C4'-P energy: -14.383 tors. eta vs tors. theta energy: -0.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -269.855151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.855151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.855151 (E_RNA) where: Base-Base interactions energy: -92.900 where: short stacking energy: -83.526 Base-Backbone interact. energy: 3.172 local terms energy: -180.127175 where: bonds (distance) C4'-P energy: -47.703 bonds (distance) P-C4' energy: -54.442 flat angles C4'-P-C4' energy: -53.539 flat angles P-C4'-P energy: -24.376 tors. eta vs tors. theta energy: -0.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -1133.041156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.041156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.041156 (E_RNA) where: Base-Base interactions energy: -788.150 where: short stacking energy: -314.623 Base-Backbone interact. energy: -0.231 local terms energy: -344.659902 where: bonds (distance) C4'-P energy: -67.428 bonds (distance) P-C4' energy: -66.442 flat angles C4'-P-C4' energy: -68.592 flat angles P-C4'-P energy: -51.596 tors. eta vs tors. theta energy: -90.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -1051.913364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.913364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.913364 (E_RNA) where: Base-Base interactions energy: -710.027 where: short stacking energy: -320.755 Base-Backbone interact. energy: -1.060 local terms energy: -340.825603 where: bonds (distance) C4'-P energy: -57.844 bonds (distance) P-C4' energy: -67.361 flat angles C4'-P-C4' energy: -73.750 flat angles P-C4'-P energy: -43.789 tors. eta vs tors. theta energy: -98.082 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: 5 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -1047.403923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.403923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.403923 (E_RNA) where: Base-Base interactions energy: -721.557 where: short stacking energy: -315.257 Base-Backbone interact. energy: -3.040 local terms energy: -322.807781 where: bonds (distance) C4'-P energy: -62.656 bonds (distance) P-C4' energy: -58.793 flat angles C4'-P-C4' energy: -66.225 flat angles P-C4'-P energy: -46.481 tors. eta vs tors. theta energy: -88.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -985.300521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.300521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.300521 (E_RNA) where: Base-Base interactions energy: -674.695 where: short stacking energy: -299.183 Base-Backbone interact. energy: 3.234 local terms energy: -313.839590 where: bonds (distance) C4'-P energy: -52.666 bonds (distance) P-C4' energy: -70.994 flat angles C4'-P-C4' energy: -60.982 flat angles P-C4'-P energy: -44.400 tors. eta vs tors. theta energy: -84.797 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: 5, replica: 7 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -824.374005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.374005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.374005 (E_RNA) where: Base-Base interactions energy: -538.170 where: short stacking energy: -243.699 Base-Backbone interact. energy: -0.457 local terms energy: -285.746316 where: bonds (distance) C4'-P energy: -54.064 bonds (distance) P-C4' energy: -59.783 flat angles C4'-P-C4' energy: -70.134 flat angles P-C4'-P energy: -35.038 tors. eta vs tors. theta energy: -66.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -834.491634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.491634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.491634 (E_RNA) where: Base-Base interactions energy: -568.824 where: short stacking energy: -235.898 Base-Backbone interact. energy: -0.892 local terms energy: -264.775723 where: bonds (distance) C4'-P energy: -48.157 bonds (distance) P-C4' energy: -53.384 flat angles C4'-P-C4' energy: -58.679 flat angles P-C4'-P energy: -39.027 tors. eta vs tors. theta energy: -65.528 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: 7, replica: 8 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -669.739707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.739707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.739707 (E_RNA) where: Base-Base interactions energy: -417.669 where: short stacking energy: -191.437 Base-Backbone interact. energy: -0.245 local terms energy: -251.826177 where: bonds (distance) C4'-P energy: -48.489 bonds (distance) P-C4' energy: -57.496 flat angles C4'-P-C4' energy: -55.999 flat angles P-C4'-P energy: -39.796 tors. eta vs tors. theta energy: -50.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -599.972568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.972568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.972568 (E_RNA) where: Base-Base interactions energy: -396.419 where: short stacking energy: -182.219 Base-Backbone interact. energy: 2.612 local terms energy: -206.165277 where: bonds (distance) C4'-P energy: -47.251 bonds (distance) P-C4' energy: -35.477 flat angles C4'-P-C4' energy: -62.666 flat angles P-C4'-P energy: -29.965 tors. eta vs tors. theta energy: -30.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -365.633696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.633696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.633696 (E_RNA) where: Base-Base interactions energy: -181.432 where: short stacking energy: -94.793 Base-Backbone interact. energy: 2.246 local terms energy: -186.447421 where: bonds (distance) C4'-P energy: -52.195 bonds (distance) P-C4' energy: -63.352 flat angles C4'-P-C4' energy: -46.888 flat angles P-C4'-P energy: -19.451 tors. eta vs tors. theta energy: -4.561 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: 10, replica: 4 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -275.371846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.371846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.371846 (E_RNA) where: Base-Base interactions energy: -108.951 where: short stacking energy: -85.742 Base-Backbone interact. energy: -0.198 local terms energy: -166.222722 where: bonds (distance) C4'-P energy: -49.221 bonds (distance) P-C4' energy: -56.248 flat angles C4'-P-C4' energy: -42.771 flat angles P-C4'-P energy: -23.084 tors. eta vs tors. theta energy: 5.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -1152.776388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.776388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.776388 (E_RNA) where: Base-Base interactions energy: -788.298 where: short stacking energy: -327.777 Base-Backbone interact. energy: 0.289 local terms energy: -364.767051 where: bonds (distance) C4'-P energy: -62.617 bonds (distance) P-C4' energy: -73.054 flat angles C4'-P-C4' energy: -81.531 flat angles P-C4'-P energy: -54.372 tors. eta vs tors. theta energy: -93.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -1068.607570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.607570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.607570 (E_RNA) where: Base-Base interactions energy: -738.782 where: short stacking energy: -330.449 Base-Backbone interact. energy: -0.127 local terms energy: -329.698599 where: bonds (distance) C4'-P energy: -65.221 bonds (distance) P-C4' energy: -59.441 flat angles C4'-P-C4' energy: -64.992 flat angles P-C4'-P energy: -51.565 tors. eta vs tors. theta energy: -88.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -1023.895268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.895268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.895268 (E_RNA) where: Base-Base interactions energy: -686.872 where: short stacking energy: -302.765 Base-Backbone interact. energy: -0.987 local terms energy: -336.036952 where: bonds (distance) C4'-P energy: -60.143 bonds (distance) P-C4' energy: -69.912 flat angles C4'-P-C4' energy: -70.774 flat angles P-C4'-P energy: -53.364 tors. eta vs tors. theta energy: -81.844 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: 9 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -1013.683674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.683674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.683674 (E_RNA) where: Base-Base interactions energy: -694.859 where: short stacking energy: -306.434 Base-Backbone interact. energy: -0.882 local terms energy: -317.943215 where: bonds (distance) C4'-P energy: -59.189 bonds (distance) P-C4' energy: -58.460 flat angles C4'-P-C4' energy: -66.801 flat angles P-C4'-P energy: -41.713 tors. eta vs tors. theta energy: -91.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -881.051250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.051250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.051250 (E_RNA) where: Base-Base interactions energy: -583.399 where: short stacking energy: -270.217 Base-Backbone interact. energy: -0.366 local terms energy: -297.285967 where: bonds (distance) C4'-P energy: -60.701 bonds (distance) P-C4' energy: -51.680 flat angles C4'-P-C4' energy: -71.211 flat angles P-C4'-P energy: -37.115 tors. eta vs tors. theta energy: -76.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -852.771979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.771979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.771979 (E_RNA) where: Base-Base interactions energy: -586.149 where: short stacking energy: -257.261 Base-Backbone interact. energy: -1.209 local terms energy: -265.414018 where: bonds (distance) C4'-P energy: -52.057 bonds (distance) P-C4' energy: -62.605 flat angles C4'-P-C4' energy: -58.483 flat angles P-C4'-P energy: -27.978 tors. eta vs tors. theta energy: -64.292 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: 7, replica: 8 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -631.292209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.292209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.292209 (E_RNA) where: Base-Base interactions energy: -381.824 where: short stacking energy: -182.764 Base-Backbone interact. energy: -0.402 local terms energy: -249.065931 where: bonds (distance) C4'-P energy: -48.850 bonds (distance) P-C4' energy: -62.205 flat angles C4'-P-C4' energy: -55.907 flat angles P-C4'-P energy: -39.758 tors. eta vs tors. theta energy: -42.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -613.162362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.162362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.162362 (E_RNA) where: Base-Base interactions energy: -381.412 where: short stacking energy: -178.099 Base-Backbone interact. energy: 0.588 local terms energy: -232.337648 where: bonds (distance) C4'-P energy: -53.719 bonds (distance) P-C4' energy: -56.295 flat angles C4'-P-C4' energy: -56.333 flat angles P-C4'-P energy: -30.042 tors. eta vs tors. theta energy: -35.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -302.158035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.158035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.158035 (E_RNA) where: Base-Base interactions energy: -111.150 where: short stacking energy: -99.436 Base-Backbone interact. energy: 2.925 local terms energy: -193.933326 where: bonds (distance) C4'-P energy: -57.025 bonds (distance) P-C4' energy: -49.962 flat angles C4'-P-C4' energy: -53.377 flat angles P-C4'-P energy: -36.164 tors. eta vs tors. theta energy: 2.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -256.464064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.464064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.464064 (E_RNA) where: Base-Base interactions energy: -81.097 where: short stacking energy: -72.892 Base-Backbone interact. energy: -0.627 local terms energy: -174.740709 where: bonds (distance) C4'-P energy: -53.961 bonds (distance) P-C4' energy: -59.898 flat angles C4'-P-C4' energy: -46.945 flat angles P-C4'-P energy: -25.009 tors. eta vs tors. theta energy: 11.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -1127.017358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.017358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.017358 (E_RNA) where: Base-Base interactions energy: -789.046 where: short stacking energy: -321.239 Base-Backbone interact. energy: -1.951 local terms energy: -336.020567 where: bonds (distance) C4'-P energy: -58.189 bonds (distance) P-C4' energy: -64.516 flat angles C4'-P-C4' energy: -70.948 flat angles P-C4'-P energy: -46.639 tors. eta vs tors. theta energy: -95.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -1067.728135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.728135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.728135 (E_RNA) where: Base-Base interactions energy: -720.666 where: short stacking energy: -310.738 Base-Backbone interact. energy: 1.982 local terms energy: -349.043301 where: bonds (distance) C4'-P energy: -58.821 bonds (distance) P-C4' energy: -60.052 flat angles C4'-P-C4' energy: -75.738 flat angles P-C4'-P energy: -62.010 tors. eta vs tors. theta energy: -92.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -1046.490741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.490741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.490741 (E_RNA) where: Base-Base interactions energy: -732.078 where: short stacking energy: -303.209 Base-Backbone interact. energy: -1.978 local terms energy: -312.434430 where: bonds (distance) C4'-P energy: -52.637 bonds (distance) P-C4' energy: -60.383 flat angles C4'-P-C4' energy: -69.929 flat angles P-C4'-P energy: -37.155 tors. eta vs tors. theta energy: -92.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -991.579748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.579748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.579748 (E_RNA) where: Base-Base interactions energy: -677.963 where: short stacking energy: -279.280 Base-Backbone interact. energy: -0.887 local terms energy: -312.730333 where: bonds (distance) C4'-P energy: -67.775 bonds (distance) P-C4' energy: -52.563 flat angles C4'-P-C4' energy: -69.034 flat angles P-C4'-P energy: -43.614 tors. eta vs tors. theta energy: -79.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -882.895896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.895896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.895896 (E_RNA) where: Base-Base interactions energy: -586.472 where: short stacking energy: -249.964 Base-Backbone interact. energy: -0.600 local terms energy: -295.823295 where: bonds (distance) C4'-P energy: -59.592 bonds (distance) P-C4' energy: -53.086 flat angles C4'-P-C4' energy: -62.337 flat angles P-C4'-P energy: -47.437 tors. eta vs tors. theta energy: -73.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -817.102202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.102202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.102202 (E_RNA) where: Base-Base interactions energy: -540.301 where: short stacking energy: -220.014 Base-Backbone interact. energy: -0.145 local terms energy: -276.656090 where: bonds (distance) C4'-P energy: -66.178 bonds (distance) P-C4' energy: -57.016 flat angles C4'-P-C4' energy: -58.753 flat angles P-C4'-P energy: -37.314 tors. eta vs tors. theta energy: -57.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -641.111759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.111759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.111759 (E_RNA) where: Base-Base interactions energy: -395.914 where: short stacking energy: -184.928 Base-Backbone interact. energy: 0.630 local terms energy: -245.827448 where: bonds (distance) C4'-P energy: -67.933 bonds (distance) P-C4' energy: -68.012 flat angles C4'-P-C4' energy: -53.121 flat angles P-C4'-P energy: -27.451 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: 8, replica: 8 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -623.465543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.465543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.465543 (E_RNA) where: Base-Base interactions energy: -373.256 where: short stacking energy: -189.498 Base-Backbone interact. energy: -0.211 local terms energy: -249.998743 where: bonds (distance) C4'-P energy: -67.276 bonds (distance) P-C4' energy: -50.477 flat angles C4'-P-C4' energy: -54.326 flat angles P-C4'-P energy: -35.780 tors. eta vs tors. theta energy: -42.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -294.812124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.812124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.812124 (E_RNA) where: Base-Base interactions energy: -99.862 where: short stacking energy: -80.286 Base-Backbone interact. energy: -1.105 local terms energy: -193.844873 where: bonds (distance) C4'-P energy: -64.039 bonds (distance) P-C4' energy: -55.977 flat angles C4'-P-C4' energy: -47.228 flat angles P-C4'-P energy: -34.489 tors. eta vs tors. theta energy: 7.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -261.348528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.348528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.348528 (E_RNA) where: Base-Base interactions energy: -99.515 where: short stacking energy: -67.164 Base-Backbone interact. energy: 0.258 local terms energy: -162.092504 where: bonds (distance) C4'-P energy: -44.432 bonds (distance) P-C4' energy: -52.105 flat angles C4'-P-C4' energy: -43.340 flat angles P-C4'-P energy: -32.833 tors. eta vs tors. theta energy: 10.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -1127.821463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.821463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.821463 (E_RNA) where: Base-Base interactions energy: -801.670 where: short stacking energy: -319.612 Base-Backbone interact. energy: 0.775 local terms energy: -326.926809 where: bonds (distance) C4'-P energy: -53.810 bonds (distance) P-C4' energy: -60.768 flat angles C4'-P-C4' energy: -70.055 flat angles P-C4'-P energy: -45.969 tors. eta vs tors. theta energy: -96.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -1034.676526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.676526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.676526 (E_RNA) where: Base-Base interactions energy: -713.340 where: short stacking energy: -300.353 Base-Backbone interact. energy: -1.388 local terms energy: -319.949031 where: bonds (distance) C4'-P energy: -58.981 bonds (distance) P-C4' energy: -62.369 flat angles C4'-P-C4' energy: -65.571 flat angles P-C4'-P energy: -50.712 tors. eta vs tors. theta energy: -82.316 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: 5 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -1041.911557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.911557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.911557 (E_RNA) where: Base-Base interactions energy: -701.949 where: short stacking energy: -306.846 Base-Backbone interact. energy: 1.448 local terms energy: -341.410845 where: bonds (distance) C4'-P energy: -67.347 bonds (distance) P-C4' energy: -59.433 flat angles C4'-P-C4' energy: -71.305 flat angles P-C4'-P energy: -54.700 tors. eta vs tors. theta energy: -88.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -1017.975900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.975900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.975900 (E_RNA) where: Base-Base interactions energy: -674.528 where: short stacking energy: -296.733 Base-Backbone interact. energy: -1.491 local terms energy: -341.956365 where: bonds (distance) C4'-P energy: -65.402 bonds (distance) P-C4' energy: -63.749 flat angles C4'-P-C4' energy: -69.691 flat angles P-C4'-P energy: -47.761 tors. eta vs tors. theta energy: -95.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -889.202314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.202314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.202314 (E_RNA) where: Base-Base interactions energy: -607.350 where: short stacking energy: -275.416 Base-Backbone interact. energy: -1.624 local terms energy: -280.229031 where: bonds (distance) C4'-P energy: -55.002 bonds (distance) P-C4' energy: -54.201 flat angles C4'-P-C4' energy: -55.868 flat angles P-C4'-P energy: -34.495 tors. eta vs tors. theta energy: -80.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -830.276897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.276897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.276897 (E_RNA) where: Base-Base interactions energy: -573.826 where: short stacking energy: -257.991 Base-Backbone interact. energy: 1.578 local terms energy: -258.028596 where: bonds (distance) C4'-P energy: -46.280 bonds (distance) P-C4' energy: -55.639 flat angles C4'-P-C4' energy: -59.934 flat angles P-C4'-P energy: -33.226 tors. eta vs tors. theta energy: -62.949 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: 6 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -627.988963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.988963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.988963 (E_RNA) where: Base-Base interactions energy: -396.370 where: short stacking energy: -190.753 Base-Backbone interact. energy: -1.113 local terms energy: -230.505841 where: bonds (distance) C4'-P energy: -43.911 bonds (distance) P-C4' energy: -58.918 flat angles C4'-P-C4' energy: -54.560 flat angles P-C4'-P energy: -34.452 tors. eta vs tors. theta energy: -38.665 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: 8 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -605.620668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.620668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.620668 (E_RNA) where: Base-Base interactions energy: -372.882 where: short stacking energy: -185.161 Base-Backbone interact. energy: -1.107 local terms energy: -231.632451 where: bonds (distance) C4'-P energy: -56.042 bonds (distance) P-C4' energy: -66.125 flat angles C4'-P-C4' energy: -52.251 flat angles P-C4'-P energy: -25.838 tors. eta vs tors. theta energy: -31.377 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: 4 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -287.884797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.884797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.884797 (E_RNA) where: Base-Base interactions energy: -96.372 where: short stacking energy: -78.558 Base-Backbone interact. energy: 0.228 local terms energy: -191.740702 where: bonds (distance) C4'-P energy: -61.558 bonds (distance) P-C4' energy: -48.537 flat angles C4'-P-C4' energy: -52.662 flat angles P-C4'-P energy: -31.931 tors. eta vs tors. theta energy: 2.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -269.992427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.992427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.992427 (E_RNA) where: Base-Base interactions energy: -76.720 where: short stacking energy: -44.605 Base-Backbone interact. energy: 2.908 local terms energy: -196.180807 where: bonds (distance) C4'-P energy: -60.533 bonds (distance) P-C4' energy: -56.455 flat angles C4'-P-C4' energy: -45.169 flat angles P-C4'-P energy: -42.606 tors. eta vs tors. theta energy: 8.582 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: 1, replica: 3 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -1136.468394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.468394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.468394 (E_RNA) where: Base-Base interactions energy: -789.837 where: short stacking energy: -320.601 Base-Backbone interact. energy: -0.551 local terms energy: -346.080551 where: bonds (distance) C4'-P energy: -68.645 bonds (distance) P-C4' energy: -63.900 flat angles C4'-P-C4' energy: -75.144 flat angles P-C4'-P energy: -43.250 tors. eta vs tors. theta energy: -95.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -1052.321899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.321899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.321899 (E_RNA) where: Base-Base interactions energy: -727.694 where: short stacking energy: -319.175 Base-Backbone interact. energy: -0.766 local terms energy: -323.862025 where: bonds (distance) C4'-P energy: -49.132 bonds (distance) P-C4' energy: -64.314 flat angles C4'-P-C4' energy: -73.184 flat angles P-C4'-P energy: -46.470 tors. eta vs tors. theta energy: -90.762 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: 1 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -1052.276963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.276963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.276963 (E_RNA) where: Base-Base interactions energy: -713.030 where: short stacking energy: -340.575 Base-Backbone interact. energy: -1.651 local terms energy: -337.596291 where: bonds (distance) C4'-P energy: -59.849 bonds (distance) P-C4' energy: -59.615 flat angles C4'-P-C4' energy: -66.386 flat angles P-C4'-P energy: -46.743 tors. eta vs tors. theta energy: -105.003 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: 4, replica: 5 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -1008.876553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.876553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.876553 (E_RNA) where: Base-Base interactions energy: -696.215 where: short stacking energy: -298.486 Base-Backbone interact. energy: 1.660 local terms energy: -314.322330 where: bonds (distance) C4'-P energy: -57.702 bonds (distance) P-C4' energy: -61.195 flat angles C4'-P-C4' energy: -64.501 flat angles P-C4'-P energy: -47.853 tors. eta vs tors. theta energy: -83.072 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: 5, replica: 7 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -878.125013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.125013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.125013 (E_RNA) where: Base-Base interactions energy: -583.607 where: short stacking energy: -254.264 Base-Backbone interact. energy: -1.282 local terms energy: -293.235705 where: bonds (distance) C4'-P energy: -51.456 bonds (distance) P-C4' energy: -66.203 flat angles C4'-P-C4' energy: -65.384 flat angles P-C4'-P energy: -42.870 tors. eta vs tors. theta energy: -67.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -839.946700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.946700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.946700 (E_RNA) where: Base-Base interactions energy: -557.639 where: short stacking energy: -231.146 Base-Backbone interact. energy: -1.628 local terms energy: -280.680129 where: bonds (distance) C4'-P energy: -56.533 bonds (distance) P-C4' energy: -66.316 flat angles C4'-P-C4' energy: -54.763 flat angles P-C4'-P energy: -34.145 tors. eta vs tors. theta energy: -68.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -647.670055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.670055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.670055 (E_RNA) where: Base-Base interactions energy: -409.778 where: short stacking energy: -207.435 Base-Backbone interact. energy: 1.604 local terms energy: -239.496069 where: bonds (distance) C4'-P energy: -57.146 bonds (distance) P-C4' energy: -55.709 flat angles C4'-P-C4' energy: -56.495 flat angles P-C4'-P energy: -29.023 tors. eta vs tors. theta energy: -41.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -594.669600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.669600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.669600 (E_RNA) where: Base-Base interactions energy: -356.167 where: short stacking energy: -164.827 Base-Backbone interact. energy: 0.609 local terms energy: -239.111847 where: bonds (distance) C4'-P energy: -51.798 bonds (distance) P-C4' energy: -54.692 flat angles C4'-P-C4' energy: -60.442 flat angles P-C4'-P energy: -39.274 tors. eta vs tors. theta energy: -32.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -292.981265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.981265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.981265 (E_RNA) where: Base-Base interactions energy: -99.547 where: short stacking energy: -75.308 Base-Backbone interact. energy: 0.191 local terms energy: -193.625443 where: bonds (distance) C4'-P energy: -58.326 bonds (distance) P-C4' energy: -63.297 flat angles C4'-P-C4' energy: -37.551 flat angles P-C4'-P energy: -35.961 tors. eta vs tors. theta energy: 1.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -287.920213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.920213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.920213 (E_RNA) where: Base-Base interactions energy: -114.521 where: short stacking energy: -92.445 Base-Backbone interact. energy: -0.913 local terms energy: -172.486090 where: bonds (distance) C4'-P energy: -57.449 bonds (distance) P-C4' energy: -47.319 flat angles C4'-P-C4' energy: -36.275 flat angles P-C4'-P energy: -30.208 tors. eta vs tors. theta energy: -1.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -1152.757731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.757731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.757731 (E_RNA) where: Base-Base interactions energy: -803.211 where: short stacking energy: -325.042 Base-Backbone interact. energy: -2.702 local terms energy: -346.845006 where: bonds (distance) C4'-P energy: -60.181 bonds (distance) P-C4' energy: -69.957 flat angles C4'-P-C4' energy: -75.775 flat angles P-C4'-P energy: -44.909 tors. eta vs tors. theta energy: -96.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -1033.993990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.993990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.993990 (E_RNA) where: Base-Base interactions energy: -715.927 where: short stacking energy: -316.763 Base-Backbone interact. energy: -2.471 local terms energy: -315.596437 where: bonds (distance) C4'-P energy: -59.395 bonds (distance) P-C4' energy: -55.399 flat angles C4'-P-C4' energy: -63.383 flat angles P-C4'-P energy: -50.725 tors. eta vs tors. theta energy: -86.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -1049.006134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.006134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.006134 (E_RNA) where: Base-Base interactions energy: -719.227 where: short stacking energy: -312.704 Base-Backbone interact. energy: 0.918 local terms energy: -330.696616 where: bonds (distance) C4'-P energy: -59.162 bonds (distance) P-C4' energy: -61.229 flat angles C4'-P-C4' energy: -71.969 flat angles P-C4'-P energy: -44.492 tors. eta vs tors. theta energy: -93.845 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: 5 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -988.873101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.873101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.873101 (E_RNA) where: Base-Base interactions energy: -674.347 where: short stacking energy: -284.219 Base-Backbone interact. energy: -1.770 local terms energy: -312.756625 where: bonds (distance) C4'-P energy: -60.861 bonds (distance) P-C4' energy: -60.471 flat angles C4'-P-C4' energy: -67.489 flat angles P-C4'-P energy: -35.585 tors. eta vs tors. theta energy: -88.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -863.080803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.080803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.080803 (E_RNA) where: Base-Base interactions energy: -581.103 where: short stacking energy: -270.892 Base-Backbone interact. energy: -0.744 local terms energy: -281.233546 where: bonds (distance) C4'-P energy: -51.237 bonds (distance) P-C4' energy: -58.509 flat angles C4'-P-C4' energy: -62.384 flat angles P-C4'-P energy: -39.964 tors. eta vs tors. theta energy: -69.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -811.627102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.627102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.627102 (E_RNA) where: Base-Base interactions energy: -551.792 where: short stacking energy: -239.643 Base-Backbone interact. energy: -2.115 local terms energy: -257.720535 where: bonds (distance) C4'-P energy: -43.747 bonds (distance) P-C4' energy: -58.532 flat angles C4'-P-C4' energy: -56.540 flat angles P-C4'-P energy: -34.262 tors. eta vs tors. theta energy: -64.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -633.058176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.058176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.058176 (E_RNA) where: Base-Base interactions energy: -388.989 where: short stacking energy: -183.331 Base-Backbone interact. energy: -1.489 local terms energy: -242.579561 where: bonds (distance) C4'-P energy: -56.505 bonds (distance) P-C4' energy: -56.861 flat angles C4'-P-C4' energy: -56.360 flat angles P-C4'-P energy: -40.136 tors. eta vs tors. theta energy: -32.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -594.673077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.673077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.673077 (E_RNA) where: Base-Base interactions energy: -368.336 where: short stacking energy: -169.336 Base-Backbone interact. energy: -0.934 local terms energy: -225.403430 where: bonds (distance) C4'-P energy: -61.397 bonds (distance) P-C4' energy: -52.217 flat angles C4'-P-C4' energy: -48.730 flat angles P-C4'-P energy: -29.869 tors. eta vs tors. theta energy: -33.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -321.338674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.338674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.338674 (E_RNA) where: Base-Base interactions energy: -134.397 where: short stacking energy: -83.704 Base-Backbone interact. energy: -0.838 local terms energy: -186.103022 where: bonds (distance) C4'-P energy: -68.254 bonds (distance) P-C4' energy: -50.024 flat angles C4'-P-C4' energy: -55.054 flat angles P-C4'-P energy: -7.374 tors. eta vs tors. theta energy: -5.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -301.381143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.381143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.381143 (E_RNA) where: Base-Base interactions energy: -125.660 where: short stacking energy: -82.540 Base-Backbone interact. energy: 2.684 local terms energy: -178.405406 where: bonds (distance) C4'-P energy: -53.918 bonds (distance) P-C4' energy: -59.240 flat angles C4'-P-C4' energy: -49.635 flat angles P-C4'-P energy: -23.705 tors. eta vs tors. theta energy: 8.093 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: 180 Temperature: 0.900000 Total energy: -1142.112225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.112225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.112225 (E_RNA) where: Base-Base interactions energy: -800.503 where: short stacking energy: -318.537 Base-Backbone interact. energy: -2.768 local terms energy: -338.841244 where: bonds (distance) C4'-P energy: -51.011 bonds (distance) P-C4' energy: -61.427 flat angles C4'-P-C4' energy: -74.285 flat angles P-C4'-P energy: -53.706 tors. eta vs tors. theta energy: -98.412 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: 9 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -1031.670358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.670358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.670358 (E_RNA) where: Base-Base interactions energy: -701.737 where: short stacking energy: -315.320 Base-Backbone interact. energy: -0.434 local terms energy: -329.499540 where: bonds (distance) C4'-P energy: -60.515 bonds (distance) P-C4' energy: -50.410 flat angles C4'-P-C4' energy: -72.336 flat angles P-C4'-P energy: -52.504 tors. eta vs tors. theta energy: -93.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -1056.395533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.395533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.395533 (E_RNA) where: Base-Base interactions energy: -710.971 where: short stacking energy: -324.782 Base-Backbone interact. energy: -0.126 local terms energy: -345.298963 where: bonds (distance) C4'-P energy: -64.754 bonds (distance) P-C4' energy: -66.408 flat angles C4'-P-C4' energy: -71.264 flat angles P-C4'-P energy: -50.995 tors. eta vs tors. theta energy: -91.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -978.356694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.356694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.356694 (E_RNA) where: Base-Base interactions energy: -667.152 where: short stacking energy: -294.460 Base-Backbone interact. energy: 1.788 local terms energy: -312.992968 where: bonds (distance) C4'-P energy: -56.067 bonds (distance) P-C4' energy: -64.054 flat angles C4'-P-C4' energy: -63.140 flat angles P-C4'-P energy: -48.141 tors. eta vs tors. theta energy: -81.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -861.716268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.716268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.716268 (E_RNA) where: Base-Base interactions energy: -585.104 where: short stacking energy: -238.019 Base-Backbone interact. energy: 4.583 local terms energy: -281.195251 where: bonds (distance) C4'-P energy: -45.657 bonds (distance) P-C4' energy: -68.967 flat angles C4'-P-C4' energy: -56.967 flat angles P-C4'-P energy: -42.379 tors. eta vs tors. theta energy: -67.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -861.712580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.712580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.712580 (E_RNA) where: Base-Base interactions energy: -565.964 where: short stacking energy: -264.623 Base-Backbone interact. energy: -0.710 local terms energy: -295.038170 where: bonds (distance) C4'-P energy: -60.853 bonds (distance) P-C4' energy: -56.613 flat angles C4'-P-C4' energy: -63.140 flat angles P-C4'-P energy: -39.954 tors. eta vs tors. theta energy: -74.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -675.934785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.934785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.934785 (E_RNA) where: Base-Base interactions energy: -412.453 where: short stacking energy: -206.431 Base-Backbone interact. energy: -1.689 local terms energy: -261.792827 where: bonds (distance) C4'-P energy: -60.256 bonds (distance) P-C4' energy: -59.574 flat angles C4'-P-C4' energy: -60.244 flat angles P-C4'-P energy: -39.266 tors. eta vs tors. theta energy: -42.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -646.419874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.419874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.419874 (E_RNA) where: Base-Base interactions energy: -397.161 where: short stacking energy: -190.116 Base-Backbone interact. energy: -0.914 local terms energy: -248.345072 where: bonds (distance) C4'-P energy: -57.117 bonds (distance) P-C4' energy: -57.238 flat angles C4'-P-C4' energy: -55.177 flat angles P-C4'-P energy: -36.148 tors. eta vs tors. theta energy: -42.665 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: 10 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -307.209187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.209187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.209187 (E_RNA) where: Base-Base interactions energy: -118.096 where: short stacking energy: -111.940 Base-Backbone interact. energy: -0.871 local terms energy: -188.242944 where: bonds (distance) C4'-P energy: -39.755 bonds (distance) P-C4' energy: -67.046 flat angles C4'-P-C4' energy: -57.653 flat angles P-C4'-P energy: -20.761 tors. eta vs tors. theta energy: -3.027 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: 4 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -271.765510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.765510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.765510 (E_RNA) where: Base-Base interactions energy: -90.599 where: short stacking energy: -85.912 Base-Backbone interact. energy: -0.812 local terms energy: -180.354615 where: bonds (distance) C4'-P energy: -54.785 bonds (distance) P-C4' energy: -51.332 flat angles C4'-P-C4' energy: -42.340 flat angles P-C4'-P energy: -25.793 tors. eta vs tors. theta energy: -6.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -1133.356181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.356181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.356181 (E_RNA) where: Base-Base interactions energy: -776.857 where: short stacking energy: -334.772 Base-Backbone interact. energy: -1.004 local terms energy: -355.495299 where: bonds (distance) C4'-P energy: -71.018 bonds (distance) P-C4' energy: -64.008 flat angles C4'-P-C4' energy: -78.467 flat angles P-C4'-P energy: -39.500 tors. eta vs tors. theta energy: -102.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -1086.731570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.731570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.731570 (E_RNA) where: Base-Base interactions energy: -742.767 where: short stacking energy: -321.346 Base-Backbone interact. energy: -1.828 local terms energy: -342.136414 where: bonds (distance) C4'-P energy: -63.469 bonds (distance) P-C4' energy: -71.023 flat angles C4'-P-C4' energy: -64.173 flat angles P-C4'-P energy: -49.407 tors. eta vs tors. theta energy: -94.064 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: 181 Temperature: 1.000000 Total energy: -1023.200331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.200331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.200331 (E_RNA) where: Base-Base interactions energy: -707.427 where: short stacking energy: -295.423 Base-Backbone interact. energy: -2.597 local terms energy: -313.176326 where: bonds (distance) C4'-P energy: -60.026 bonds (distance) P-C4' energy: -67.680 flat angles C4'-P-C4' energy: -67.305 flat angles P-C4'-P energy: -41.664 tors. eta vs tors. theta energy: -76.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -987.828885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.828885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.828885 (E_RNA) where: Base-Base interactions energy: -663.385 where: short stacking energy: -304.362 Base-Backbone interact. energy: -2.876 local terms energy: -321.567266 where: bonds (distance) C4'-P energy: -62.663 bonds (distance) P-C4' energy: -57.459 flat angles C4'-P-C4' energy: -72.280 flat angles P-C4'-P energy: -40.667 tors. eta vs tors. theta energy: -88.498 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: 181 Temperature: 1.100000 Total energy: -873.978123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.978123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.978123 (E_RNA) where: Base-Base interactions energy: -604.084 where: short stacking energy: -273.406 Base-Backbone interact. energy: -0.908 local terms energy: -268.985273 where: bonds (distance) C4'-P energy: -46.403 bonds (distance) P-C4' energy: -51.718 flat angles C4'-P-C4' energy: -63.224 flat angles P-C4'-P energy: -37.884 tors. eta vs tors. theta energy: -69.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -835.159108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.159108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.159108 (E_RNA) where: Base-Base interactions energy: -552.705 where: short stacking energy: -249.850 Base-Backbone interact. energy: 0.827 local terms energy: -283.281429 where: bonds (distance) C4'-P energy: -60.158 bonds (distance) P-C4' energy: -59.601 flat angles C4'-P-C4' energy: -61.390 flat angles P-C4'-P energy: -37.266 tors. eta vs tors. theta energy: -64.867 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: 6 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -680.354090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.354090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.354090 (E_RNA) where: Base-Base interactions energy: -434.654 where: short stacking energy: -188.820 Base-Backbone interact. energy: -0.989 local terms energy: -244.710919 where: bonds (distance) C4'-P energy: -59.892 bonds (distance) P-C4' energy: -46.028 flat angles C4'-P-C4' energy: -53.908 flat angles P-C4'-P energy: -42.181 tors. eta vs tors. theta energy: -42.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -650.466105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.466105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.466105 (E_RNA) where: Base-Base interactions energy: -425.704 where: short stacking energy: -200.099 Base-Backbone interact. energy: -0.914 local terms energy: -223.848466 where: bonds (distance) C4'-P energy: -46.723 bonds (distance) P-C4' energy: -50.080 flat angles C4'-P-C4' energy: -41.934 flat angles P-C4'-P energy: -33.609 tors. eta vs tors. theta energy: -51.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -274.606639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.606639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.606639 (E_RNA) where: Base-Base interactions energy: -79.680 where: short stacking energy: -61.081 Base-Backbone interact. energy: 2.620 local terms energy: -197.546618 where: bonds (distance) C4'-P energy: -60.511 bonds (distance) P-C4' energy: -60.451 flat angles C4'-P-C4' energy: -47.665 flat angles P-C4'-P energy: -33.083 tors. eta vs tors. theta energy: 4.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -271.017420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.017420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.017420 (E_RNA) where: Base-Base interactions energy: -117.740 where: short stacking energy: -104.001 Base-Backbone interact. energy: 4.586 local terms energy: -157.862982 where: bonds (distance) C4'-P energy: -45.668 bonds (distance) P-C4' energy: -56.245 flat angles C4'-P-C4' energy: -39.807 flat angles P-C4'-P energy: -17.504 tors. eta vs tors. theta energy: 1.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -1129.211476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.211476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.211476 (E_RNA) where: Base-Base interactions energy: -788.279 where: short stacking energy: -317.083 Base-Backbone interact. energy: 1.190 local terms energy: -342.122638 where: bonds (distance) C4'-P energy: -62.068 bonds (distance) P-C4' energy: -74.226 flat angles C4'-P-C4' energy: -71.784 flat angles P-C4'-P energy: -40.907 tors. eta vs tors. theta energy: -93.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -1077.373344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.373344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.373344 (E_RNA) where: Base-Base interactions energy: -726.224 where: short stacking energy: -330.130 Base-Backbone interact. energy: 0.629 local terms energy: -351.778418 where: bonds (distance) C4'-P energy: -61.665 bonds (distance) P-C4' energy: -63.533 flat angles C4'-P-C4' energy: -72.374 flat angles P-C4'-P energy: -54.563 tors. eta vs tors. theta energy: -99.643 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: 3, replica: 9 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -1047.238145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.238145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.238145 (E_RNA) where: Base-Base interactions energy: -722.566 where: short stacking energy: -300.221 Base-Backbone interact. energy: -1.294 local terms energy: -323.378002 where: bonds (distance) C4'-P energy: -60.687 bonds (distance) P-C4' energy: -63.422 flat angles C4'-P-C4' energy: -67.802 flat angles P-C4'-P energy: -43.931 tors. eta vs tors. theta energy: -87.536 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: 5 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -988.396151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.396151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.396151 (E_RNA) where: Base-Base interactions energy: -686.146 where: short stacking energy: -293.805 Base-Backbone interact. energy: -1.364 local terms energy: -300.886512 where: bonds (distance) C4'-P energy: -43.557 bonds (distance) P-C4' energy: -62.855 flat angles C4'-P-C4' energy: -65.892 flat angles P-C4'-P energy: -47.616 tors. eta vs tors. theta energy: -80.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -858.627447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.627447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.627447 (E_RNA) where: Base-Base interactions energy: -576.180 where: short stacking energy: -249.984 Base-Backbone interact. energy: -1.441 local terms energy: -281.005998 where: bonds (distance) C4'-P energy: -55.624 bonds (distance) P-C4' energy: -69.919 flat angles C4'-P-C4' energy: -58.419 flat angles P-C4'-P energy: -39.512 tors. eta vs tors. theta energy: -57.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -806.121354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.121354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.121354 (E_RNA) where: Base-Base interactions energy: -529.396 where: short stacking energy: -229.753 Base-Backbone interact. energy: -3.140 local terms energy: -273.585402 where: bonds (distance) C4'-P energy: -57.184 bonds (distance) P-C4' energy: -65.997 flat angles C4'-P-C4' energy: -63.284 flat angles P-C4'-P energy: -30.438 tors. eta vs tors. theta energy: -56.683 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: 8 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -700.320632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.320632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.320632 (E_RNA) where: Base-Base interactions energy: -438.965 where: short stacking energy: -182.144 Base-Backbone interact. energy: -1.092 local terms energy: -260.263601 where: bonds (distance) C4'-P energy: -59.364 bonds (distance) P-C4' energy: -60.510 flat angles C4'-P-C4' energy: -61.561 flat angles P-C4'-P energy: -44.161 tors. eta vs tors. theta energy: -34.667 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: 8, replica: 6 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -681.439901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.439901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.439901 (E_RNA) where: Base-Base interactions energy: -429.943 where: short stacking energy: -215.754 Base-Backbone interact. energy: -2.598 local terms energy: -248.899056 where: bonds (distance) C4'-P energy: -50.503 bonds (distance) P-C4' energy: -47.948 flat angles C4'-P-C4' energy: -62.304 flat angles P-C4'-P energy: -44.575 tors. eta vs tors. theta energy: -43.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -274.983653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.983653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.983653 (E_RNA) where: Base-Base interactions energy: -98.718 where: short stacking energy: -77.216 Base-Backbone interact. energy: -2.296 local terms energy: -173.969443 where: bonds (distance) C4'-P energy: -57.217 bonds (distance) P-C4' energy: -48.159 flat angles C4'-P-C4' energy: -50.705 flat angles P-C4'-P energy: -27.871 tors. eta vs tors. theta energy: 9.983 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: 10, replica: 10 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -288.264497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.264497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.264497 (E_RNA) where: Base-Base interactions energy: -128.866 where: short stacking energy: -75.403 Base-Backbone interact. energy: -0.338 local terms energy: -159.060691 where: bonds (distance) C4'-P energy: -53.852 bonds (distance) P-C4' energy: -61.503 flat angles C4'-P-C4' energy: -37.767 flat angles P-C4'-P energy: -23.146 tors. eta vs tors. theta energy: 17.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -1144.216887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.216887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.216887 (E_RNA) where: Base-Base interactions energy: -787.546 where: short stacking energy: -320.044 Base-Backbone interact. energy: -1.834 local terms energy: -354.836841 where: bonds (distance) C4'-P energy: -61.998 bonds (distance) P-C4' energy: -70.224 flat angles C4'-P-C4' energy: -75.025 flat angles P-C4'-P energy: -48.729 tors. eta vs tors. theta energy: -98.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -1071.016897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.016897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.016897 (E_RNA) where: Base-Base interactions energy: -734.528 where: short stacking energy: -325.078 Base-Backbone interact. energy: -1.500 local terms energy: -334.988850 where: bonds (distance) C4'-P energy: -51.642 bonds (distance) P-C4' energy: -59.126 flat angles C4'-P-C4' energy: -74.423 flat angles P-C4'-P energy: -51.196 tors. eta vs tors. theta energy: -98.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -1025.832853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.832853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.832853 (E_RNA) where: Base-Base interactions energy: -703.393 where: short stacking energy: -273.365 Base-Backbone interact. energy: -2.297 local terms energy: -320.143184 where: bonds (distance) C4'-P energy: -62.546 bonds (distance) P-C4' energy: -67.866 flat angles C4'-P-C4' energy: -67.808 flat angles P-C4'-P energy: -43.254 tors. eta vs tors. theta energy: -78.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -1009.724022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.724022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.724022 (E_RNA) where: Base-Base interactions energy: -679.973 where: short stacking energy: -302.048 Base-Backbone interact. energy: -1.222 local terms energy: -328.529006 where: bonds (distance) C4'-P energy: -63.846 bonds (distance) P-C4' energy: -62.955 flat angles C4'-P-C4' energy: -65.776 flat angles P-C4'-P energy: -45.881 tors. eta vs tors. theta energy: -90.071 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: 183 Temperature: 1.100000 Total energy: -852.358432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.358432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.358432 (E_RNA) where: Base-Base interactions energy: -569.978 where: short stacking energy: -247.532 Base-Backbone interact. energy: -1.181 local terms energy: -281.198928 where: bonds (distance) C4'-P energy: -52.233 bonds (distance) P-C4' energy: -62.543 flat angles C4'-P-C4' energy: -56.378 flat angles P-C4'-P energy: -45.752 tors. eta vs tors. theta energy: -64.293 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: 7 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -808.524280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.524280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.524280 (E_RNA) where: Base-Base interactions energy: -538.877 where: short stacking energy: -231.827 Base-Backbone interact. energy: -1.111 local terms energy: -268.535980 where: bonds (distance) C4'-P energy: -59.132 bonds (distance) P-C4' energy: -60.949 flat angles C4'-P-C4' energy: -59.594 flat angles P-C4'-P energy: -33.694 tors. eta vs tors. theta energy: -55.167 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: 8 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -706.451477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.451477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.451477 (E_RNA) where: Base-Base interactions energy: -444.083 where: short stacking energy: -207.715 Base-Backbone interact. energy: -0.155 local terms energy: -262.212928 where: bonds (distance) C4'-P energy: -53.054 bonds (distance) P-C4' energy: -54.742 flat angles C4'-P-C4' energy: -66.166 flat angles P-C4'-P energy: -37.812 tors. eta vs tors. theta energy: -50.440 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: 6 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -630.472287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.472287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.472287 (E_RNA) where: Base-Base interactions energy: -383.994 where: short stacking energy: -186.328 Base-Backbone interact. energy: 1.923 local terms energy: -248.401619 where: bonds (distance) C4'-P energy: -47.019 bonds (distance) P-C4' energy: -58.406 flat angles C4'-P-C4' energy: -55.335 flat angles P-C4'-P energy: -40.338 tors. eta vs tors. theta energy: -47.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -276.453457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.453457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.453457 (E_RNA) where: Base-Base interactions energy: -95.690 where: short stacking energy: -81.105 Base-Backbone interact. energy: 1.275 local terms energy: -182.038242 where: bonds (distance) C4'-P energy: -59.604 bonds (distance) P-C4' energy: -61.800 flat angles C4'-P-C4' energy: -35.320 flat angles P-C4'-P energy: -23.498 tors. eta vs tors. theta energy: -1.817 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: 183 Temperature: 1.350000 Total energy: -266.131016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.131016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.131016 (E_RNA) where: Base-Base interactions energy: -98.426 where: short stacking energy: -70.408 Base-Backbone interact. energy: 3.496 local terms energy: -171.201090 where: bonds (distance) C4'-P energy: -57.668 bonds (distance) P-C4' energy: -48.911 flat angles C4'-P-C4' energy: -47.256 flat angles P-C4'-P energy: -28.644 tors. eta vs tors. theta energy: 11.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -1154.900043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.900043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.900043 (E_RNA) where: Base-Base interactions energy: -796.681 where: short stacking energy: -332.569 Base-Backbone interact. energy: -1.275 local terms energy: -356.943836 where: bonds (distance) C4'-P energy: -67.043 bonds (distance) P-C4' energy: -60.543 flat angles C4'-P-C4' energy: -75.237 flat angles P-C4'-P energy: -52.550 tors. eta vs tors. theta energy: -101.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -1080.099716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.099716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.099716 (E_RNA) where: Base-Base interactions energy: -746.718 where: short stacking energy: -321.277 Base-Backbone interact. energy: -1.536 local terms energy: -331.845955 where: bonds (distance) C4'-P energy: -59.709 bonds (distance) P-C4' energy: -59.416 flat angles C4'-P-C4' energy: -73.996 flat angles P-C4'-P energy: -40.728 tors. eta vs tors. theta energy: -97.998 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: 3, replica: 9 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -1032.181583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.181583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.181583 (E_RNA) where: Base-Base interactions energy: -712.945 where: short stacking energy: -299.708 Base-Backbone interact. energy: 0.463 local terms energy: -319.699644 where: bonds (distance) C4'-P energy: -52.594 bonds (distance) P-C4' energy: -62.686 flat angles C4'-P-C4' energy: -74.650 flat angles P-C4'-P energy: -44.827 tors. eta vs tors. theta energy: -84.943 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: 5 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -1017.480885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.480885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.480885 (E_RNA) where: Base-Base interactions energy: -697.249 where: short stacking energy: -307.341 Base-Backbone interact. energy: -0.419 local terms energy: -319.812982 where: bonds (distance) C4'-P energy: -53.089 bonds (distance) P-C4' energy: -56.589 flat angles C4'-P-C4' energy: -71.293 flat angles P-C4'-P energy: -49.518 tors. eta vs tors. theta energy: -89.324 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: 7 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -854.848899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.848899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.848899 (E_RNA) where: Base-Base interactions energy: -579.880 where: short stacking energy: -246.854 Base-Backbone interact. energy: 0.480 local terms energy: -275.448818 where: bonds (distance) C4'-P energy: -60.458 bonds (distance) P-C4' energy: -63.436 flat angles C4'-P-C4' energy: -58.912 flat angles P-C4'-P energy: -39.348 tors. eta vs tors. theta energy: -53.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -777.569846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.569846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.569846 (E_RNA) where: Base-Base interactions energy: -506.932 where: short stacking energy: -237.191 Base-Backbone interact. energy: -1.257 local terms energy: -269.380736 where: bonds (distance) C4'-P energy: -57.418 bonds (distance) P-C4' energy: -42.824 flat angles C4'-P-C4' energy: -66.004 flat angles P-C4'-P energy: -44.160 tors. eta vs tors. theta energy: -58.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -727.351528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.351528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.351528 (E_RNA) where: Base-Base interactions energy: -469.409 where: short stacking energy: -216.344 Base-Backbone interact. energy: -0.296 local terms energy: -257.646787 where: bonds (distance) C4'-P energy: -33.841 bonds (distance) P-C4' energy: -55.873 flat angles C4'-P-C4' energy: -74.914 flat angles P-C4'-P energy: -42.229 tors. eta vs tors. theta energy: -50.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -620.897550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.897550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.897550 (E_RNA) where: Base-Base interactions energy: -366.885 where: short stacking energy: -166.881 Base-Backbone interact. energy: -0.794 local terms energy: -253.218643 where: bonds (distance) C4'-P energy: -55.651 bonds (distance) P-C4' energy: -66.297 flat angles C4'-P-C4' energy: -53.346 flat angles P-C4'-P energy: -32.606 tors. eta vs tors. theta energy: -45.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -313.398656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.398656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.398656 (E_RNA) where: Base-Base interactions energy: -118.586 where: short stacking energy: -87.570 Base-Backbone interact. energy: -0.663 local terms energy: -194.149529 where: bonds (distance) C4'-P energy: -48.302 bonds (distance) P-C4' energy: -50.941 flat angles C4'-P-C4' energy: -57.515 flat angles P-C4'-P energy: -31.790 tors. eta vs tors. theta energy: -5.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -286.917717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.917717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.917717 (E_RNA) where: Base-Base interactions energy: -107.038 where: short stacking energy: -81.152 Base-Backbone interact. energy: 2.474 local terms energy: -182.353782 where: bonds (distance) C4'-P energy: -48.785 bonds (distance) P-C4' energy: -67.042 flat angles C4'-P-C4' energy: -44.352 flat angles P-C4'-P energy: -30.034 tors. eta vs tors. theta energy: 7.859 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: 3 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -1136.236374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.236374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.236374 (E_RNA) where: Base-Base interactions energy: -790.617 where: short stacking energy: -319.415 Base-Backbone interact. energy: -2.747 local terms energy: -342.872376 where: bonds (distance) C4'-P energy: -59.537 bonds (distance) P-C4' energy: -57.843 flat angles C4'-P-C4' energy: -74.655 flat angles P-C4'-P energy: -50.068 tors. eta vs tors. theta energy: -100.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -1078.439804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.439804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.439804 (E_RNA) where: Base-Base interactions energy: -724.004 where: short stacking energy: -326.983 Base-Backbone interact. energy: -0.845 local terms energy: -353.591345 where: bonds (distance) C4'-P energy: -64.804 bonds (distance) P-C4' energy: -72.271 flat angles C4'-P-C4' energy: -75.466 flat angles P-C4'-P energy: -45.398 tors. eta vs tors. theta energy: -95.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -1068.927744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.927744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.927744 (E_RNA) where: Base-Base interactions energy: -744.019 where: short stacking energy: -300.114 Base-Backbone interact. energy: -0.604 local terms energy: -324.305207 where: bonds (distance) C4'-P energy: -62.027 bonds (distance) P-C4' energy: -59.738 flat angles C4'-P-C4' energy: -72.353 flat angles P-C4'-P energy: -39.511 tors. eta vs tors. theta energy: -90.676 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: 5 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -1025.176031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.176031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.176031 (E_RNA) where: Base-Base interactions energy: -695.762 where: short stacking energy: -314.808 Base-Backbone interact. energy: -0.350 local terms energy: -329.064506 where: bonds (distance) C4'-P energy: -58.631 bonds (distance) P-C4' energy: -64.475 flat angles C4'-P-C4' energy: -69.719 flat angles P-C4'-P energy: -49.945 tors. eta vs tors. theta energy: -86.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -817.174202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.174202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.174202 (E_RNA) where: Base-Base interactions energy: -529.834 where: short stacking energy: -238.073 Base-Backbone interact. energy: -2.037 local terms energy: -285.303651 where: bonds (distance) C4'-P energy: -54.595 bonds (distance) P-C4' energy: -62.321 flat angles C4'-P-C4' energy: -63.289 flat angles P-C4'-P energy: -43.897 tors. eta vs tors. theta energy: -61.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -823.473973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.473973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.473973 (E_RNA) where: Base-Base interactions energy: -553.701 where: short stacking energy: -235.375 Base-Backbone interact. energy: -1.704 local terms energy: -268.068527 where: bonds (distance) C4'-P energy: -50.809 bonds (distance) P-C4' energy: -54.737 flat angles C4'-P-C4' energy: -63.842 flat angles P-C4'-P energy: -42.237 tors. eta vs tors. theta energy: -56.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -692.729714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.729714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.729714 (E_RNA) where: Base-Base interactions energy: -456.175 where: short stacking energy: -187.228 Base-Backbone interact. energy: -1.574 local terms energy: -234.980560 where: bonds (distance) C4'-P energy: -49.764 bonds (distance) P-C4' energy: -61.136 flat angles C4'-P-C4' energy: -52.875 flat angles P-C4'-P energy: -42.166 tors. eta vs tors. theta energy: -29.039 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: 6 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -639.432508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.432508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.432508 (E_RNA) where: Base-Base interactions energy: -408.402 where: short stacking energy: -190.371 Base-Backbone interact. energy: -1.170 local terms energy: -229.860851 where: bonds (distance) C4'-P energy: -48.831 bonds (distance) P-C4' energy: -54.497 flat angles C4'-P-C4' energy: -59.950 flat angles P-C4'-P energy: -30.618 tors. eta vs tors. theta energy: -35.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -279.333681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.333681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.333681 (E_RNA) where: Base-Base interactions energy: -84.417 where: short stacking energy: -72.733 Base-Backbone interact. energy: -2.794 local terms energy: -192.121970 where: bonds (distance) C4'-P energy: -56.882 bonds (distance) P-C4' energy: -66.010 flat angles C4'-P-C4' energy: -47.920 flat angles P-C4'-P energy: -24.570 tors. eta vs tors. theta energy: 3.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -276.166082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.166082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.166082 (E_RNA) where: Base-Base interactions energy: -77.434 where: short stacking energy: -64.669 Base-Backbone interact. energy: -0.443 local terms energy: -198.288879 where: bonds (distance) C4'-P energy: -55.304 bonds (distance) P-C4' energy: -60.667 flat angles C4'-P-C4' energy: -57.524 flat angles P-C4'-P energy: -26.656 tors. eta vs tors. theta energy: 1.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -1141.182637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.182637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.182637 (E_RNA) where: Base-Base interactions energy: -799.516 where: short stacking energy: -330.979 Base-Backbone interact. energy: -3.438 local terms energy: -338.228729 where: bonds (distance) C4'-P energy: -56.469 bonds (distance) P-C4' energy: -68.052 flat angles C4'-P-C4' energy: -67.178 flat angles P-C4'-P energy: -47.518 tors. eta vs tors. theta energy: -99.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -1056.625972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.625972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.625972 (E_RNA) where: Base-Base interactions energy: -729.146 where: short stacking energy: -306.312 Base-Backbone interact. energy: -0.882 local terms energy: -326.598819 where: bonds (distance) C4'-P energy: -52.179 bonds (distance) P-C4' energy: -63.326 flat angles C4'-P-C4' energy: -71.657 flat angles P-C4'-P energy: -43.150 tors. eta vs tors. theta energy: -96.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -1049.185874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.185874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.185874 (E_RNA) where: Base-Base interactions energy: -731.186 where: short stacking energy: -310.375 Base-Backbone interact. energy: -1.555 local terms energy: -316.444367 where: bonds (distance) C4'-P energy: -47.106 bonds (distance) P-C4' energy: -57.471 flat angles C4'-P-C4' energy: -71.620 flat angles P-C4'-P energy: -50.111 tors. eta vs tors. theta energy: -90.136 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: 4, replica: 5 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -1003.006225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.006225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.006225 (E_RNA) where: Base-Base interactions energy: -686.791 where: short stacking energy: -291.692 Base-Backbone interact. energy: 3.181 local terms energy: -319.396214 where: bonds (distance) C4'-P energy: -62.119 bonds (distance) P-C4' energy: -46.928 flat angles C4'-P-C4' energy: -67.714 flat angles P-C4'-P energy: -51.167 tors. eta vs tors. theta energy: -91.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -838.047990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.047990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.047990 (E_RNA) where: Base-Base interactions energy: -558.479 where: short stacking energy: -251.325 Base-Backbone interact. energy: 1.313 local terms energy: -280.882532 where: bonds (distance) C4'-P energy: -48.643 bonds (distance) P-C4' energy: -57.549 flat angles C4'-P-C4' energy: -68.566 flat angles P-C4'-P energy: -36.027 tors. eta vs tors. theta energy: -70.098 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: 2 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -821.764406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.764406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.764406 (E_RNA) where: Base-Base interactions energy: -554.311 where: short stacking energy: -244.434 Base-Backbone interact. energy: 2.561 local terms energy: -270.013978 where: bonds (distance) C4'-P energy: -53.476 bonds (distance) P-C4' energy: -52.076 flat angles C4'-P-C4' energy: -68.051 flat angles P-C4'-P energy: -38.146 tors. eta vs tors. theta energy: -58.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -743.271928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.271928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.271928 (E_RNA) where: Base-Base interactions energy: -488.054 where: short stacking energy: -223.971 Base-Backbone interact. energy: 2.056 local terms energy: -257.273740 where: bonds (distance) C4'-P energy: -56.630 bonds (distance) P-C4' energy: -55.499 flat angles C4'-P-C4' energy: -56.285 flat angles P-C4'-P energy: -35.153 tors. eta vs tors. theta energy: -53.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -626.460077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.460077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.460077 (E_RNA) where: Base-Base interactions energy: -382.771 where: short stacking energy: -188.619 Base-Backbone interact. energy: 0.194 local terms energy: -243.883515 where: bonds (distance) C4'-P energy: -54.903 bonds (distance) P-C4' energy: -62.130 flat angles C4'-P-C4' energy: -51.625 flat angles P-C4'-P energy: -28.751 tors. eta vs tors. theta energy: -46.474 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: 9, replica: 4 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -321.851392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.851392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.851392 (E_RNA) where: Base-Base interactions energy: -141.623 where: short stacking energy: -107.783 Base-Backbone interact. energy: 1.895 local terms energy: -182.122811 where: bonds (distance) C4'-P energy: -41.011 bonds (distance) P-C4' energy: -63.152 flat angles C4'-P-C4' energy: -40.502 flat angles P-C4'-P energy: -30.395 tors. eta vs tors. theta energy: -7.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -266.066860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.066860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.066860 (E_RNA) where: Base-Base interactions energy: -97.689 where: short stacking energy: -78.022 Base-Backbone interact. energy: -1.140 local terms energy: -167.237818 where: bonds (distance) C4'-P energy: -51.335 bonds (distance) P-C4' energy: -54.291 flat angles C4'-P-C4' energy: -48.582 flat angles P-C4'-P energy: -12.431 tors. eta vs tors. theta energy: -0.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -1139.429171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.429171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.429171 (E_RNA) where: Base-Base interactions energy: -799.284 where: short stacking energy: -335.484 Base-Backbone interact. energy: -1.678 local terms energy: -338.466890 where: bonds (distance) C4'-P energy: -59.181 bonds (distance) P-C4' energy: -65.270 flat angles C4'-P-C4' energy: -69.831 flat angles P-C4'-P energy: -44.847 tors. eta vs tors. theta energy: -99.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -1056.878695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.878695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.878695 (E_RNA) where: Base-Base interactions energy: -731.734 where: short stacking energy: -313.011 Base-Backbone interact. energy: 1.210 local terms energy: -326.354256 where: bonds (distance) C4'-P energy: -57.100 bonds (distance) P-C4' energy: -64.440 flat angles C4'-P-C4' energy: -68.460 flat angles P-C4'-P energy: -46.597 tors. eta vs tors. theta energy: -89.757 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: 1 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -1043.072287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.072287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.072287 (E_RNA) where: Base-Base interactions energy: -713.066 where: short stacking energy: -300.529 Base-Backbone interact. energy: -2.831 local terms energy: -327.175783 where: bonds (distance) C4'-P energy: -57.940 bonds (distance) P-C4' energy: -63.559 flat angles C4'-P-C4' energy: -69.746 flat angles P-C4'-P energy: -46.956 tors. eta vs tors. theta energy: -88.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -1007.106258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.106258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.106258 (E_RNA) where: Base-Base interactions energy: -694.699 where: short stacking energy: -303.595 Base-Backbone interact. energy: -0.509 local terms energy: -311.898457 where: bonds (distance) C4'-P energy: -56.913 bonds (distance) P-C4' energy: -59.394 flat angles C4'-P-C4' energy: -63.794 flat angles P-C4'-P energy: -47.070 tors. eta vs tors. theta energy: -84.727 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: 5, replica: 7 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -837.980997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.980997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.980997 (E_RNA) where: Base-Base interactions energy: -554.671 where: short stacking energy: -239.903 Base-Backbone interact. energy: -1.887 local terms energy: -281.422850 where: bonds (distance) C4'-P energy: -60.145 bonds (distance) P-C4' energy: -56.067 flat angles C4'-P-C4' energy: -58.384 flat angles P-C4'-P energy: -42.030 tors. eta vs tors. theta energy: -64.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -825.038120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.038120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.038120 (E_RNA) where: Base-Base interactions energy: -556.553 where: short stacking energy: -253.495 Base-Backbone interact. energy: -1.692 local terms energy: -266.793633 where: bonds (distance) C4'-P energy: -49.660 bonds (distance) P-C4' energy: -53.338 flat angles C4'-P-C4' energy: -61.747 flat angles P-C4'-P energy: -39.969 tors. eta vs tors. theta energy: -62.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -734.299954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.299954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.299954 (E_RNA) where: Base-Base interactions energy: -453.720 where: short stacking energy: -209.210 Base-Backbone interact. energy: 0.232 local terms energy: -280.812368 where: bonds (distance) C4'-P energy: -58.321 bonds (distance) P-C4' energy: -60.055 flat angles C4'-P-C4' energy: -64.099 flat angles P-C4'-P energy: -44.552 tors. eta vs tors. theta energy: -53.786 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: 6 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -609.847831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.847831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.847831 (E_RNA) where: Base-Base interactions energy: -368.674 where: short stacking energy: -179.400 Base-Backbone interact. energy: -1.365 local terms energy: -239.808818 where: bonds (distance) C4'-P energy: -48.317 bonds (distance) P-C4' energy: -61.284 flat angles C4'-P-C4' energy: -58.881 flat angles P-C4'-P energy: -39.290 tors. eta vs tors. theta energy: -32.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -344.149644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.149644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.149644 (E_RNA) where: Base-Base interactions energy: -153.954 where: short stacking energy: -110.893 Base-Backbone interact. energy: -0.750 local terms energy: -189.446098 where: bonds (distance) C4'-P energy: -53.791 bonds (distance) P-C4' energy: -55.486 flat angles C4'-P-C4' energy: -48.423 flat angles P-C4'-P energy: -23.488 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: 10 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -274.625260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.625260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.625260 (E_RNA) where: Base-Base interactions energy: -113.761 where: short stacking energy: -72.277 Base-Backbone interact. energy: 2.305 local terms energy: -163.169310 where: bonds (distance) C4'-P energy: -42.545 bonds (distance) P-C4' energy: -56.837 flat angles C4'-P-C4' energy: -45.875 flat angles P-C4'-P energy: -31.426 tors. eta vs tors. theta energy: 13.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -1136.352774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.352774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.352774 (E_RNA) where: Base-Base interactions energy: -786.338 where: short stacking energy: -326.489 Base-Backbone interact. energy: 0.003 local terms energy: -350.017472 where: bonds (distance) C4'-P energy: -63.428 bonds (distance) P-C4' energy: -64.963 flat angles C4'-P-C4' energy: -72.126 flat angles P-C4'-P energy: -53.927 tors. eta vs tors. theta energy: -95.573 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: 2, replica: 9 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -1094.726825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.726825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.726825 (E_RNA) where: Base-Base interactions energy: -747.991 where: short stacking energy: -300.905 Base-Backbone interact. energy: -1.828 local terms energy: -344.907459 where: bonds (distance) C4'-P energy: -61.885 bonds (distance) P-C4' energy: -69.594 flat angles C4'-P-C4' energy: -74.782 flat angles P-C4'-P energy: -46.867 tors. eta vs tors. theta energy: -91.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -1057.825792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.825792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.825792 (E_RNA) where: Base-Base interactions energy: -723.228 where: short stacking energy: -305.504 Base-Backbone interact. energy: -1.434 local terms energy: -333.164087 where: bonds (distance) C4'-P energy: -53.050 bonds (distance) P-C4' energy: -63.868 flat angles C4'-P-C4' energy: -69.055 flat angles P-C4'-P energy: -51.470 tors. eta vs tors. theta energy: -95.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -990.584306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.584306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.584306 (E_RNA) where: Base-Base interactions energy: -683.043 where: short stacking energy: -295.010 Base-Backbone interact. energy: -1.815 local terms energy: -305.726620 where: bonds (distance) C4'-P energy: -49.096 bonds (distance) P-C4' energy: -63.272 flat angles C4'-P-C4' energy: -68.723 flat angles P-C4'-P energy: -39.859 tors. eta vs tors. theta energy: -84.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -877.898302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.898302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.898302 (E_RNA) where: Base-Base interactions energy: -597.254 where: short stacking energy: -252.287 Base-Backbone interact. energy: 0.050 local terms energy: -280.694383 where: bonds (distance) C4'-P energy: -54.094 bonds (distance) P-C4' energy: -62.935 flat angles C4'-P-C4' energy: -58.845 flat angles P-C4'-P energy: -38.302 tors. eta vs tors. theta energy: -66.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -852.488767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.488767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.488767 (E_RNA) where: Base-Base interactions energy: -569.595 where: short stacking energy: -233.967 Base-Backbone interact. energy: 0.187 local terms energy: -283.080548 where: bonds (distance) C4'-P energy: -46.422 bonds (distance) P-C4' energy: -67.974 flat angles C4'-P-C4' energy: -58.087 flat angles P-C4'-P energy: -40.393 tors. eta vs tors. theta energy: -70.204 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: 8 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -745.710789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.710789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.710789 (E_RNA) where: Base-Base interactions energy: -491.677 where: short stacking energy: -218.289 Base-Backbone interact. energy: -1.535 local terms energy: -252.498893 where: bonds (distance) C4'-P energy: -46.351 bonds (distance) P-C4' energy: -57.489 flat angles C4'-P-C4' energy: -54.085 flat angles P-C4'-P energy: -38.268 tors. eta vs tors. theta energy: -56.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -604.920660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.920660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.920660 (E_RNA) where: Base-Base interactions energy: -379.793 where: short stacking energy: -179.838 Base-Backbone interact. energy: -0.555 local terms energy: -224.572731 where: bonds (distance) C4'-P energy: -45.478 bonds (distance) P-C4' energy: -56.027 flat angles C4'-P-C4' energy: -54.292 flat angles P-C4'-P energy: -34.461 tors. eta vs tors. theta energy: -34.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -339.593373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.593373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.593373 (E_RNA) where: Base-Base interactions energy: -142.678 where: short stacking energy: -99.559 Base-Backbone interact. energy: -0.872 local terms energy: -196.043339 where: bonds (distance) C4'-P energy: -50.120 bonds (distance) P-C4' energy: -64.329 flat angles C4'-P-C4' energy: -56.625 flat angles P-C4'-P energy: -21.480 tors. eta vs tors. theta energy: -3.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -335.889304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.889304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.889304 (E_RNA) where: Base-Base interactions energy: -161.191 where: short stacking energy: -87.437 Base-Backbone interact. energy: 0.961 local terms energy: -175.660124 where: bonds (distance) C4'-P energy: -48.698 bonds (distance) P-C4' energy: -53.944 flat angles C4'-P-C4' energy: -48.856 flat angles P-C4'-P energy: -25.993 tors. eta vs tors. theta energy: 1.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -1127.899840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.899840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.899840 (E_RNA) where: Base-Base interactions energy: -771.735 where: short stacking energy: -324.530 Base-Backbone interact. energy: -1.865 local terms energy: -354.299390 where: bonds (distance) C4'-P energy: -67.575 bonds (distance) P-C4' energy: -62.729 flat angles C4'-P-C4' energy: -76.630 flat angles P-C4'-P energy: -52.062 tors. eta vs tors. theta energy: -95.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -1074.220161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.220161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.220161 (E_RNA) where: Base-Base interactions energy: -728.265 where: short stacking energy: -339.955 Base-Backbone interact. energy: -0.994 local terms energy: -344.961461 where: bonds (distance) C4'-P energy: -53.787 bonds (distance) P-C4' energy: -65.438 flat angles C4'-P-C4' energy: -69.703 flat angles P-C4'-P energy: -51.272 tors. eta vs tors. theta energy: -104.761 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: 189 Temperature: 1.000000 Total energy: -1052.734275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.734275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.734275 (E_RNA) where: Base-Base interactions energy: -746.641 where: short stacking energy: -312.068 Base-Backbone interact. energy: 0.289 local terms energy: -306.382511 where: bonds (distance) C4'-P energy: -57.233 bonds (distance) P-C4' energy: -55.446 flat angles C4'-P-C4' energy: -63.821 flat angles P-C4'-P energy: -44.375 tors. eta vs tors. theta energy: -85.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -987.939778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.939778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.939778 (E_RNA) where: Base-Base interactions energy: -688.542 where: short stacking energy: -305.364 Base-Backbone interact. energy: 2.994 local terms energy: -302.391113 where: bonds (distance) C4'-P energy: -48.969 bonds (distance) P-C4' energy: -59.255 flat angles C4'-P-C4' energy: -73.143 flat angles P-C4'-P energy: -39.036 tors. eta vs tors. theta energy: -81.989 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: 189 Temperature: 1.100000 Total energy: -889.035883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.035883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.035883 (E_RNA) where: Base-Base interactions energy: -608.890 where: short stacking energy: -261.167 Base-Backbone interact. energy: -2.182 local terms energy: -277.963781 where: bonds (distance) C4'-P energy: -55.490 bonds (distance) P-C4' energy: -52.178 flat angles C4'-P-C4' energy: -58.183 flat angles P-C4'-P energy: -39.113 tors. eta vs tors. theta energy: -73.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -827.612426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.612426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.612426 (E_RNA) where: Base-Base interactions energy: -551.463 where: short stacking energy: -221.441 Base-Backbone interact. energy: 1.667 local terms energy: -277.816605 where: bonds (distance) C4'-P energy: -52.105 bonds (distance) P-C4' energy: -56.518 flat angles C4'-P-C4' energy: -61.849 flat angles P-C4'-P energy: -49.522 tors. eta vs tors. theta energy: -57.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -767.622987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.622987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.622987 (E_RNA) where: Base-Base interactions energy: -511.122 where: short stacking energy: -211.014 Base-Backbone interact. energy: 0.250 local terms energy: -256.751310 where: bonds (distance) C4'-P energy: -51.954 bonds (distance) P-C4' energy: -63.114 flat angles C4'-P-C4' energy: -61.153 flat angles P-C4'-P energy: -32.568 tors. eta vs tors. theta energy: -47.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -616.268859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.268859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.268859 (E_RNA) where: Base-Base interactions energy: -373.976 where: short stacking energy: -160.774 Base-Backbone interact. energy: -1.033 local terms energy: -241.260140 where: bonds (distance) C4'-P energy: -51.538 bonds (distance) P-C4' energy: -53.938 flat angles C4'-P-C4' energy: -67.660 flat angles P-C4'-P energy: -38.739 tors. eta vs tors. theta energy: -29.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -295.381708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.381708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.381708 (E_RNA) where: Base-Base interactions energy: -101.282 where: short stacking energy: -84.635 Base-Backbone interact. energy: -0.562 local terms energy: -193.538132 where: bonds (distance) C4'-P energy: -53.552 bonds (distance) P-C4' energy: -54.010 flat angles C4'-P-C4' energy: -51.836 flat angles P-C4'-P energy: -33.253 tors. eta vs tors. theta energy: -0.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -301.683505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.683505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.683505 (E_RNA) where: Base-Base interactions energy: -128.370 where: short stacking energy: -85.563 Base-Backbone interact. energy: -2.256 local terms energy: -171.057233 where: bonds (distance) C4'-P energy: -48.837 bonds (distance) P-C4' energy: -56.167 flat angles C4'-P-C4' energy: -48.864 flat angles P-C4'-P energy: -28.149 tors. eta vs tors. theta energy: 10.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -1123.377328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.377328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.377328 (E_RNA) where: Base-Base interactions energy: -787.290 where: short stacking energy: -315.982 Base-Backbone interact. energy: -1.910 local terms energy: -334.177632 where: bonds (distance) C4'-P energy: -57.136 bonds (distance) P-C4' energy: -56.132 flat angles C4'-P-C4' energy: -68.048 flat angles P-C4'-P energy: -56.631 tors. eta vs tors. theta energy: -96.231 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: 1 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -1076.033929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.033929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.033929 (E_RNA) where: Base-Base interactions energy: -744.662 where: short stacking energy: -332.670 Base-Backbone interact. energy: -1.107 local terms energy: -330.265235 where: bonds (distance) C4'-P energy: -60.022 bonds (distance) P-C4' energy: -57.080 flat angles C4'-P-C4' energy: -64.022 flat angles P-C4'-P energy: -47.168 tors. eta vs tors. theta energy: -101.973 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: 9 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -1034.074425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.074425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.074425 (E_RNA) where: Base-Base interactions energy: -703.955 where: short stacking energy: -293.370 Base-Backbone interact. energy: -2.188 local terms energy: -327.930687 where: bonds (distance) C4'-P energy: -62.076 bonds (distance) P-C4' energy: -63.358 flat angles C4'-P-C4' energy: -66.877 flat angles P-C4'-P energy: -47.498 tors. eta vs tors. theta energy: -88.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -1002.604574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.604574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.604574 (E_RNA) where: Base-Base interactions energy: -684.432 where: short stacking energy: -301.128 Base-Backbone interact. energy: -1.772 local terms energy: -316.400036 where: bonds (distance) C4'-P energy: -54.827 bonds (distance) P-C4' energy: -64.658 flat angles C4'-P-C4' energy: -67.931 flat angles P-C4'-P energy: -39.368 tors. eta vs tors. theta energy: -89.615 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: 190 Temperature: 1.100000 Total energy: -892.833375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.833375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.833375 (E_RNA) where: Base-Base interactions energy: -621.072 where: short stacking energy: -265.353 Base-Backbone interact. energy: -0.924 local terms energy: -270.836765 where: bonds (distance) C4'-P energy: -58.330 bonds (distance) P-C4' energy: -50.465 flat angles C4'-P-C4' energy: -66.700 flat angles P-C4'-P energy: -18.521 tors. eta vs tors. theta energy: -76.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -854.355609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.355609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.355609 (E_RNA) where: Base-Base interactions energy: -588.354 where: short stacking energy: -254.639 Base-Backbone interact. energy: -0.094 local terms energy: -265.907472 where: bonds (distance) C4'-P energy: -48.515 bonds (distance) P-C4' energy: -47.468 flat angles C4'-P-C4' energy: -65.319 flat angles P-C4'-P energy: -37.932 tors. eta vs tors. theta energy: -66.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -727.365313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.365313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.365313 (E_RNA) where: Base-Base interactions energy: -484.974 where: short stacking energy: -215.656 Base-Backbone interact. energy: -0.754 local terms energy: -241.637046 where: bonds (distance) C4'-P energy: -47.191 bonds (distance) P-C4' energy: -56.543 flat angles C4'-P-C4' energy: -54.488 flat angles P-C4'-P energy: -36.953 tors. eta vs tors. theta energy: -46.462 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: 6 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -631.785520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.785520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.785520 (E_RNA) where: Base-Base interactions energy: -381.290 where: short stacking energy: -172.184 Base-Backbone interact. energy: 1.011 local terms energy: -251.506154 where: bonds (distance) C4'-P energy: -61.098 bonds (distance) P-C4' energy: -64.650 flat angles C4'-P-C4' energy: -54.040 flat angles P-C4'-P energy: -36.288 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: 9, replica: 10 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -307.659665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.659665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.659665 (E_RNA) where: Base-Base interactions energy: -121.766 where: short stacking energy: -95.716 Base-Backbone interact. energy: 1.227 local terms energy: -187.120354 where: bonds (distance) C4'-P energy: -56.461 bonds (distance) P-C4' energy: -49.112 flat angles C4'-P-C4' energy: -61.596 flat angles P-C4'-P energy: -19.795 tors. eta vs tors. theta energy: -0.156 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: 10, replica: 4 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -274.932944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.932944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.932944 (E_RNA) where: Base-Base interactions energy: -97.155 where: short stacking energy: -80.571 Base-Backbone interact. energy: -1.337 local terms energy: -176.441108 where: bonds (distance) C4'-P energy: -56.917 bonds (distance) P-C4' energy: -56.064 flat angles C4'-P-C4' energy: -46.209 flat angles P-C4'-P energy: -16.028 tors. eta vs tors. theta energy: -1.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -1130.667925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.667925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.667925 (E_RNA) where: Base-Base interactions energy: -781.884 where: short stacking energy: -335.823 Base-Backbone interact. energy: -0.881 local terms energy: -347.903424 where: bonds (distance) C4'-P energy: -60.045 bonds (distance) P-C4' energy: -71.662 flat angles C4'-P-C4' energy: -62.608 flat angles P-C4'-P energy: -52.737 tors. eta vs tors. theta energy: -100.852 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: 1 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -1068.878675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.878675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.878675 (E_RNA) where: Base-Base interactions energy: -724.588 where: short stacking energy: -310.727 Base-Backbone interact. energy: -1.212 local terms energy: -343.078203 where: bonds (distance) C4'-P energy: -66.358 bonds (distance) P-C4' energy: -62.268 flat angles C4'-P-C4' energy: -75.502 flat angles P-C4'-P energy: -43.433 tors. eta vs tors. theta energy: -95.518 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: 9 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -1032.839975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.839975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.839975 (E_RNA) where: Base-Base interactions energy: -707.272 where: short stacking energy: -300.481 Base-Backbone interact. energy: -1.289 local terms energy: -324.278242 where: bonds (distance) C4'-P energy: -54.257 bonds (distance) P-C4' energy: -59.452 flat angles C4'-P-C4' energy: -72.643 flat angles P-C4'-P energy: -47.178 tors. eta vs tors. theta energy: -90.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -1004.963714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.963714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.963714 (E_RNA) where: Base-Base interactions energy: -697.062 where: short stacking energy: -315.528 Base-Backbone interact. energy: -0.171 local terms energy: -307.730761 where: bonds (distance) C4'-P energy: -61.661 bonds (distance) P-C4' energy: -65.976 flat angles C4'-P-C4' energy: -64.247 flat angles P-C4'-P energy: -37.406 tors. eta vs tors. theta energy: -78.441 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: 5, replica: 2 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -874.975862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.975862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.975862 (E_RNA) where: Base-Base interactions energy: -598.912 where: short stacking energy: -249.062 Base-Backbone interact. energy: -1.320 local terms energy: -274.743579 where: bonds (distance) C4'-P energy: -49.670 bonds (distance) P-C4' energy: -58.164 flat angles C4'-P-C4' energy: -60.159 flat angles P-C4'-P energy: -42.367 tors. eta vs tors. theta energy: -64.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -894.454973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.454973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.454973 (E_RNA) where: Base-Base interactions energy: -610.412 where: short stacking energy: -263.298 Base-Backbone interact. energy: -1.506 local terms energy: -282.537088 where: bonds (distance) C4'-P energy: -60.080 bonds (distance) P-C4' energy: -44.599 flat angles C4'-P-C4' energy: -66.132 flat angles P-C4'-P energy: -32.094 tors. eta vs tors. theta energy: -79.632 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: 7, replica: 8 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -715.125636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.125636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.125636 (E_RNA) where: Base-Base interactions energy: -465.100 where: short stacking energy: -202.221 Base-Backbone interact. energy: 1.833 local terms energy: -251.859233 where: bonds (distance) C4'-P energy: -49.708 bonds (distance) P-C4' energy: -60.665 flat angles C4'-P-C4' energy: -49.719 flat angles P-C4'-P energy: -42.913 tors. eta vs tors. theta energy: -48.855 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: 8, replica: 6 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -630.263397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.263397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.263397 (E_RNA) where: Base-Base interactions energy: -412.000 where: short stacking energy: -200.470 Base-Backbone interact. energy: 4.507 local terms energy: -222.769803 where: bonds (distance) C4'-P energy: -55.966 bonds (distance) P-C4' energy: -36.366 flat angles C4'-P-C4' energy: -55.229 flat angles P-C4'-P energy: -33.308 tors. eta vs tors. theta energy: -41.901 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: 9, replica: 10 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -292.879198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.879198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.879198 (E_RNA) where: Base-Base interactions energy: -85.538 where: short stacking energy: -73.979 Base-Backbone interact. energy: -1.714 local terms energy: -205.627623 where: bonds (distance) C4'-P energy: -63.915 bonds (distance) P-C4' energy: -54.954 flat angles C4'-P-C4' energy: -55.387 flat angles P-C4'-P energy: -34.418 tors. eta vs tors. theta energy: 3.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -267.859807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.859807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.859807 (E_RNA) where: Base-Base interactions energy: -97.695 where: short stacking energy: -88.703 Base-Backbone interact. energy: -0.401 local terms energy: -169.763635 where: bonds (distance) C4'-P energy: -46.123 bonds (distance) P-C4' energy: -47.718 flat angles C4'-P-C4' energy: -47.958 flat angles P-C4'-P energy: -35.637 tors. eta vs tors. theta energy: 7.672 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: 192 Temperature: 0.900000 Total energy: -1129.812770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.812770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.812770 (E_RNA) where: Base-Base interactions energy: -785.367 where: short stacking energy: -329.598 Base-Backbone interact. energy: 3.861 local terms energy: -348.306452 where: bonds (distance) C4'-P energy: -59.520 bonds (distance) P-C4' energy: -64.265 flat angles C4'-P-C4' energy: -71.687 flat angles P-C4'-P energy: -52.690 tors. eta vs tors. theta energy: -100.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -1061.165729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.165729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.165729 (E_RNA) where: Base-Base interactions energy: -730.992 where: short stacking energy: -310.310 Base-Backbone interact. energy: -2.124 local terms energy: -328.049607 where: bonds (distance) C4'-P energy: -58.037 bonds (distance) P-C4' energy: -62.112 flat angles C4'-P-C4' energy: -63.605 flat angles P-C4'-P energy: -45.555 tors. eta vs tors. theta energy: -98.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -1044.072703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.072703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.072703 (E_RNA) where: Base-Base interactions energy: -719.380 where: short stacking energy: -316.007 Base-Backbone interact. energy: -0.080 local terms energy: -324.613118 where: bonds (distance) C4'-P energy: -58.705 bonds (distance) P-C4' energy: -63.561 flat angles C4'-P-C4' energy: -64.836 flat angles P-C4'-P energy: -43.643 tors. eta vs tors. theta energy: -93.869 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: 5 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -991.445830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.445830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.445830 (E_RNA) where: Base-Base interactions energy: -683.947 where: short stacking energy: -302.349 Base-Backbone interact. energy: 0.171 local terms energy: -307.669558 where: bonds (distance) C4'-P energy: -50.196 bonds (distance) P-C4' energy: -57.375 flat angles C4'-P-C4' energy: -73.207 flat angles P-C4'-P energy: -44.308 tors. eta vs tors. theta energy: -82.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -870.583117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.583117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.583117 (E_RNA) where: Base-Base interactions energy: -575.146 where: short stacking energy: -264.460 Base-Backbone interact. energy: -0.785 local terms energy: -294.652427 where: bonds (distance) C4'-P energy: -60.169 bonds (distance) P-C4' energy: -50.832 flat angles C4'-P-C4' energy: -61.730 flat angles P-C4'-P energy: -40.948 tors. eta vs tors. theta energy: -80.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -812.086594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.086594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.086594 (E_RNA) where: Base-Base interactions energy: -551.305 where: short stacking energy: -246.090 Base-Backbone interact. energy: 1.644 local terms energy: -262.426121 where: bonds (distance) C4'-P energy: -44.831 bonds (distance) P-C4' energy: -62.036 flat angles C4'-P-C4' energy: -47.958 flat angles P-C4'-P energy: -44.992 tors. eta vs tors. theta energy: -62.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -738.015042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.015042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.015042 (E_RNA) where: Base-Base interactions energy: -469.366 where: short stacking energy: -221.728 Base-Backbone interact. energy: -0.547 local terms energy: -268.101777 where: bonds (distance) C4'-P energy: -56.024 bonds (distance) P-C4' energy: -56.255 flat angles C4'-P-C4' energy: -60.024 flat angles P-C4'-P energy: -37.227 tors. eta vs tors. theta energy: -58.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -635.213812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.213812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.213812 (E_RNA) where: Base-Base interactions energy: -407.190 where: short stacking energy: -181.967 Base-Backbone interact. energy: 0.337 local terms energy: -228.360899 where: bonds (distance) C4'-P energy: -42.233 bonds (distance) P-C4' energy: -51.806 flat angles C4'-P-C4' energy: -53.948 flat angles P-C4'-P energy: -37.706 tors. eta vs tors. theta energy: -42.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -295.464215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.464215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.464215 (E_RNA) where: Base-Base interactions energy: -110.619 where: short stacking energy: -84.718 Base-Backbone interact. energy: -1.702 local terms energy: -183.143468 where: bonds (distance) C4'-P energy: -63.358 bonds (distance) P-C4' energy: -54.080 flat angles C4'-P-C4' energy: -41.040 flat angles P-C4'-P energy: -34.528 tors. eta vs tors. theta energy: 9.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -260.755601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.755601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.755601 (E_RNA) where: Base-Base interactions energy: -82.728 where: short stacking energy: -71.530 Base-Backbone interact. energy: -1.362 local terms energy: -176.665362 where: bonds (distance) C4'-P energy: -58.421 bonds (distance) P-C4' energy: -55.645 flat angles C4'-P-C4' energy: -29.997 flat angles P-C4'-P energy: -33.534 tors. eta vs tors. theta energy: 0.931 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: 193 Temperature: 0.900000 Total energy: -1132.046937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.046937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.046937 (E_RNA) where: Base-Base interactions energy: -785.960 where: short stacking energy: -321.628 Base-Backbone interact. energy: -1.133 local terms energy: -344.953578 where: bonds (distance) C4'-P energy: -66.410 bonds (distance) P-C4' energy: -63.687 flat angles C4'-P-C4' energy: -68.803 flat angles P-C4'-P energy: -46.842 tors. eta vs tors. theta energy: -99.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -1066.474697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.474697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.474697 (E_RNA) where: Base-Base interactions energy: -727.974 where: short stacking energy: -329.200 Base-Backbone interact. energy: -1.550 local terms energy: -336.950888 where: bonds (distance) C4'-P energy: -58.340 bonds (distance) P-C4' energy: -65.872 flat angles C4'-P-C4' energy: -66.264 flat angles P-C4'-P energy: -44.315 tors. eta vs tors. theta energy: -102.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -1058.219690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.219690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.219690 (E_RNA) where: Base-Base interactions energy: -723.523 where: short stacking energy: -323.828 Base-Backbone interact. energy: -0.993 local terms energy: -333.703541 where: bonds (distance) C4'-P energy: -64.555 bonds (distance) P-C4' energy: -56.802 flat angles C4'-P-C4' energy: -71.276 flat angles P-C4'-P energy: -48.507 tors. eta vs tors. theta energy: -92.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -992.388060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.388060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.388060 (E_RNA) where: Base-Base interactions energy: -676.868 where: short stacking energy: -307.645 Base-Backbone interact. energy: -2.208 local terms energy: -313.312519 where: bonds (distance) C4'-P energy: -64.988 bonds (distance) P-C4' energy: -64.762 flat angles C4'-P-C4' energy: -59.485 flat angles P-C4'-P energy: -42.141 tors. eta vs tors. theta energy: -81.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -835.526288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.526288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.526288 (E_RNA) where: Base-Base interactions energy: -547.646 where: short stacking energy: -230.765 Base-Backbone interact. energy: 1.450 local terms energy: -289.329813 where: bonds (distance) C4'-P energy: -60.447 bonds (distance) P-C4' energy: -62.223 flat angles C4'-P-C4' energy: -71.780 flat angles P-C4'-P energy: -38.281 tors. eta vs tors. theta energy: -56.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -842.457625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.457625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.457625 (E_RNA) where: Base-Base interactions energy: -565.944 where: short stacking energy: -240.293 Base-Backbone interact. energy: -4.384 local terms energy: -272.129227 where: bonds (distance) C4'-P energy: -42.639 bonds (distance) P-C4' energy: -56.691 flat angles C4'-P-C4' energy: -63.189 flat angles P-C4'-P energy: -36.277 tors. eta vs tors. theta energy: -73.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -773.246538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.246538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.246538 (E_RNA) where: Base-Base interactions energy: -507.026 where: short stacking energy: -238.383 Base-Backbone interact. energy: -0.312 local terms energy: -265.908169 where: bonds (distance) C4'-P energy: -56.508 bonds (distance) P-C4' energy: -55.509 flat angles C4'-P-C4' energy: -64.729 flat angles P-C4'-P energy: -41.651 tors. eta vs tors. theta energy: -47.512 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: 8, replica: 6 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -630.970216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.970216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.970216 (E_RNA) where: Base-Base interactions energy: -406.990 where: short stacking energy: -186.731 Base-Backbone interact. energy: -1.698 local terms energy: -222.282384 where: bonds (distance) C4'-P energy: -43.514 bonds (distance) P-C4' energy: -57.204 flat angles C4'-P-C4' energy: -48.711 flat angles P-C4'-P energy: -35.721 tors. eta vs tors. theta energy: -37.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -277.634398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.634398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.634398 (E_RNA) where: Base-Base interactions energy: -96.756 where: short stacking energy: -79.274 Base-Backbone interact. energy: 0.387 local terms energy: -181.265237 where: bonds (distance) C4'-P energy: -51.194 bonds (distance) P-C4' energy: -49.610 flat angles C4'-P-C4' energy: -46.808 flat angles P-C4'-P energy: -30.816 tors. eta vs tors. theta energy: -2.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -273.669933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.669933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.669933 (E_RNA) where: Base-Base interactions energy: -78.056 where: short stacking energy: -66.214 Base-Backbone interact. energy: -1.219 local terms energy: -194.394517 where: bonds (distance) C4'-P energy: -59.855 bonds (distance) P-C4' energy: -63.351 flat angles C4'-P-C4' energy: -47.257 flat angles P-C4'-P energy: -24.401 tors. eta vs tors. theta energy: 0.470 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: 3 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -1121.110828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.110828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.110828 (E_RNA) where: Base-Base interactions energy: -769.597 where: short stacking energy: -322.664 Base-Backbone interact. energy: -2.838 local terms energy: -348.676678 where: bonds (distance) C4'-P energy: -64.265 bonds (distance) P-C4' energy: -64.241 flat angles C4'-P-C4' energy: -73.479 flat angles P-C4'-P energy: -47.240 tors. eta vs tors. theta energy: -99.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -1067.855733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.855733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.855733 (E_RNA) where: Base-Base interactions energy: -725.069 where: short stacking energy: -312.736 Base-Backbone interact. energy: -0.357 local terms energy: -342.429853 where: bonds (distance) C4'-P energy: -56.500 bonds (distance) P-C4' energy: -64.500 flat angles C4'-P-C4' energy: -71.558 flat angles P-C4'-P energy: -51.464 tors. eta vs tors. theta energy: -98.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -1013.675562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.675562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.675562 (E_RNA) where: Base-Base interactions energy: -695.894 where: short stacking energy: -306.546 Base-Backbone interact. energy: -0.377 local terms energy: -317.405209 where: bonds (distance) C4'-P energy: -63.546 bonds (distance) P-C4' energy: -61.104 flat angles C4'-P-C4' energy: -67.949 flat angles P-C4'-P energy: -38.003 tors. eta vs tors. theta energy: -86.803 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: 5 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -982.258374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.258374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.258374 (E_RNA) where: Base-Base interactions energy: -675.154 where: short stacking energy: -299.099 Base-Backbone interact. energy: 0.697 local terms energy: -307.801972 where: bonds (distance) C4'-P energy: -59.664 bonds (distance) P-C4' energy: -59.030 flat angles C4'-P-C4' energy: -61.403 flat angles P-C4'-P energy: -44.759 tors. eta vs tors. theta energy: -82.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -904.864382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.864382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.864382 (E_RNA) where: Base-Base interactions energy: -603.293 where: short stacking energy: -262.659 Base-Backbone interact. energy: -1.182 local terms energy: -300.389258 where: bonds (distance) C4'-P energy: -60.083 bonds (distance) P-C4' energy: -53.264 flat angles C4'-P-C4' energy: -62.800 flat angles P-C4'-P energy: -45.127 tors. eta vs tors. theta energy: -79.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -843.670859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.670859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.670859 (E_RNA) where: Base-Base interactions energy: -558.127 where: short stacking energy: -246.193 Base-Backbone interact. energy: -2.342 local terms energy: -283.201979 where: bonds (distance) C4'-P energy: -62.346 bonds (distance) P-C4' energy: -51.080 flat angles C4'-P-C4' energy: -67.073 flat angles P-C4'-P energy: -34.684 tors. eta vs tors. theta energy: -68.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -781.716258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.716258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.716258 (E_RNA) where: Base-Base interactions energy: -506.404 where: short stacking energy: -239.340 Base-Backbone interact. energy: 0.047 local terms energy: -275.358679 where: bonds (distance) C4'-P energy: -40.933 bonds (distance) P-C4' energy: -55.470 flat angles C4'-P-C4' energy: -65.382 flat angles P-C4'-P energy: -46.579 tors. eta vs tors. theta energy: -66.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -619.415071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.415071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.415071 (E_RNA) where: Base-Base interactions energy: -382.499 where: short stacking energy: -169.911 Base-Backbone interact. energy: 1.968 local terms energy: -238.883687 where: bonds (distance) C4'-P energy: -51.768 bonds (distance) P-C4' energy: -64.838 flat angles C4'-P-C4' energy: -56.107 flat angles P-C4'-P energy: -33.883 tors. eta vs tors. theta energy: -32.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -290.569343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.569343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.569343 (E_RNA) where: Base-Base interactions energy: -118.221 where: short stacking energy: -101.793 Base-Backbone interact. energy: -1.286 local terms energy: -171.061705 where: bonds (distance) C4'-P energy: -36.586 bonds (distance) P-C4' energy: -40.669 flat angles C4'-P-C4' energy: -51.354 flat angles P-C4'-P energy: -34.055 tors. eta vs tors. theta energy: -8.398 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: 10 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -274.858385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.858385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.858385 (E_RNA) where: Base-Base interactions energy: -124.059 where: short stacking energy: -88.682 Base-Backbone interact. energy: 3.976 local terms energy: -154.775104 where: bonds (distance) C4'-P energy: -46.002 bonds (distance) P-C4' energy: -50.727 flat angles C4'-P-C4' energy: -41.032 flat angles P-C4'-P energy: -29.069 tors. eta vs tors. theta energy: 12.055 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: 3 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -1134.117164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.117164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.117164 (E_RNA) where: Base-Base interactions energy: -785.787 where: short stacking energy: -337.823 Base-Backbone interact. energy: 1.804 local terms energy: -350.134147 where: bonds (distance) C4'-P energy: -62.149 bonds (distance) P-C4' energy: -65.077 flat angles C4'-P-C4' energy: -74.358 flat angles P-C4'-P energy: -50.470 tors. eta vs tors. theta energy: -98.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -1072.205011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.205011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.205011 (E_RNA) where: Base-Base interactions energy: -740.526 where: short stacking energy: -313.861 Base-Backbone interact. energy: 0.323 local terms energy: -332.002096 where: bonds (distance) C4'-P energy: -64.349 bonds (distance) P-C4' energy: -60.688 flat angles C4'-P-C4' energy: -65.878 flat angles P-C4'-P energy: -48.167 tors. eta vs tors. theta energy: -92.921 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: 9 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -986.519980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.519980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.519980 (E_RNA) where: Base-Base interactions energy: -668.261 where: short stacking energy: -286.245 Base-Backbone interact. energy: -2.505 local terms energy: -315.753909 where: bonds (distance) C4'-P energy: -59.311 bonds (distance) P-C4' energy: -67.266 flat angles C4'-P-C4' energy: -61.414 flat angles P-C4'-P energy: -48.165 tors. eta vs tors. theta energy: -79.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -1004.656177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.656177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.656177 (E_RNA) where: Base-Base interactions energy: -681.711 where: short stacking energy: -301.910 Base-Backbone interact. energy: -1.618 local terms energy: -321.326792 where: bonds (distance) C4'-P energy: -58.243 bonds (distance) P-C4' energy: -60.528 flat angles C4'-P-C4' energy: -70.018 flat angles P-C4'-P energy: -50.987 tors. eta vs tors. theta energy: -81.551 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: 5, replica: 2 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -912.752528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.752528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.752528 (E_RNA) where: Base-Base interactions energy: -620.349 where: short stacking energy: -273.902 Base-Backbone interact. energy: -1.209 local terms energy: -291.193833 where: bonds (distance) C4'-P energy: -47.004 bonds (distance) P-C4' energy: -52.894 flat angles C4'-P-C4' energy: -65.732 flat angles P-C4'-P energy: -51.666 tors. eta vs tors. theta energy: -73.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -890.679217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.679217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.679217 (E_RNA) where: Base-Base interactions energy: -604.067 where: short stacking energy: -264.540 Base-Backbone interact. energy: -0.926 local terms energy: -285.686454 where: bonds (distance) C4'-P energy: -60.383 bonds (distance) P-C4' energy: -54.935 flat angles C4'-P-C4' energy: -54.360 flat angles P-C4'-P energy: -39.123 tors. eta vs tors. theta energy: -76.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -684.535676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.535676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.535676 (E_RNA) where: Base-Base interactions energy: -424.447 where: short stacking energy: -196.812 Base-Backbone interact. energy: 0.494 local terms energy: -260.582734 where: bonds (distance) C4'-P energy: -54.096 bonds (distance) P-C4' energy: -62.689 flat angles C4'-P-C4' energy: -52.441 flat angles P-C4'-P energy: -38.441 tors. eta vs tors. theta energy: -52.915 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: 6 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -621.872482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.872482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.872482 (E_RNA) where: Base-Base interactions energy: -380.527 where: short stacking energy: -179.890 Base-Backbone interact. energy: -1.252 local terms energy: -240.094292 where: bonds (distance) C4'-P energy: -58.262 bonds (distance) P-C4' energy: -52.842 flat angles C4'-P-C4' energy: -51.899 flat angles P-C4'-P energy: -38.210 tors. eta vs tors. theta energy: -38.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -267.057411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.057411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.057411 (E_RNA) where: Base-Base interactions energy: -77.960 where: short stacking energy: -59.743 Base-Backbone interact. energy: -1.674 local terms energy: -187.423077 where: bonds (distance) C4'-P energy: -54.543 bonds (distance) P-C4' energy: -69.940 flat angles C4'-P-C4' energy: -41.291 flat angles P-C4'-P energy: -33.966 tors. eta vs tors. theta energy: 12.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -275.657286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.657286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.657286 (E_RNA) where: Base-Base interactions energy: -96.489 where: short stacking energy: -80.105 Base-Backbone interact. energy: 6.804 local terms energy: -185.971864 where: bonds (distance) C4'-P energy: -55.316 bonds (distance) P-C4' energy: -70.528 flat angles C4'-P-C4' energy: -47.624 flat angles P-C4'-P energy: -24.838 tors. eta vs tors. theta energy: 12.335 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: 3 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -1123.855457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.855457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.855457 (E_RNA) where: Base-Base interactions energy: -799.285 where: short stacking energy: -325.283 Base-Backbone interact. energy: -0.292 local terms energy: -324.277977 where: bonds (distance) C4'-P energy: -56.438 bonds (distance) P-C4' energy: -59.908 flat angles C4'-P-C4' energy: -61.144 flat angles P-C4'-P energy: -51.083 tors. eta vs tors. theta energy: -95.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -1067.614072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.614072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.614072 (E_RNA) where: Base-Base interactions energy: -733.822 where: short stacking energy: -294.794 Base-Backbone interact. energy: -1.525 local terms energy: -332.266790 where: bonds (distance) C4'-P energy: -59.960 bonds (distance) P-C4' energy: -68.419 flat angles C4'-P-C4' energy: -68.246 flat angles P-C4'-P energy: -50.711 tors. eta vs tors. theta energy: -84.931 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: 196 Temperature: 1.000000 Total energy: -1009.543951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.543951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.543951 (E_RNA) where: Base-Base interactions energy: -699.414 where: short stacking energy: -306.760 Base-Backbone interact. energy: -1.804 local terms energy: -308.326321 where: bonds (distance) C4'-P energy: -59.160 bonds (distance) P-C4' energy: -56.999 flat angles C4'-P-C4' energy: -69.064 flat angles P-C4'-P energy: -29.949 tors. eta vs tors. theta energy: -93.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -975.433305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.433305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.433305 (E_RNA) where: Base-Base interactions energy: -688.894 where: short stacking energy: -291.719 Base-Backbone interact. energy: -0.737 local terms energy: -285.803083 where: bonds (distance) C4'-P energy: -51.896 bonds (distance) P-C4' energy: -43.684 flat angles C4'-P-C4' energy: -71.072 flat angles P-C4'-P energy: -45.546 tors. eta vs tors. theta energy: -73.605 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: 196 Temperature: 1.100000 Total energy: -894.320128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.320128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.320128 (E_RNA) where: Base-Base interactions energy: -593.605 where: short stacking energy: -253.694 Base-Backbone interact. energy: -1.413 local terms energy: -299.302472 where: bonds (distance) C4'-P energy: -57.570 bonds (distance) P-C4' energy: -53.925 flat angles C4'-P-C4' energy: -62.655 flat angles P-C4'-P energy: -49.188 tors. eta vs tors. theta energy: -75.964 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: 6, replica: 7 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -880.506812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.506812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.506812 (E_RNA) where: Base-Base interactions energy: -595.860 where: short stacking energy: -249.117 Base-Backbone interact. energy: -0.234 local terms energy: -284.413193 where: bonds (distance) C4'-P energy: -60.259 bonds (distance) P-C4' energy: -52.934 flat angles C4'-P-C4' energy: -59.523 flat angles P-C4'-P energy: -42.837 tors. eta vs tors. theta energy: -68.859 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: 8 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -664.522730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.522730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.522730 (E_RNA) where: Base-Base interactions energy: -414.542 where: short stacking energy: -194.918 Base-Backbone interact. energy: -0.734 local terms energy: -249.245819 where: bonds (distance) C4'-P energy: -41.250 bonds (distance) P-C4' energy: -65.601 flat angles C4'-P-C4' energy: -56.825 flat angles P-C4'-P energy: -39.428 tors. eta vs tors. theta energy: -46.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -632.951493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.951493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.951493 (E_RNA) where: Base-Base interactions energy: -391.368 where: short stacking energy: -182.211 Base-Backbone interact. energy: -1.004 local terms energy: -240.579531 where: bonds (distance) C4'-P energy: -52.726 bonds (distance) P-C4' energy: -54.513 flat angles C4'-P-C4' energy: -62.788 flat angles P-C4'-P energy: -32.554 tors. eta vs tors. theta energy: -37.998 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: 4 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -289.026928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.026928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.026928 (E_RNA) where: Base-Base interactions energy: -94.223 where: short stacking energy: -80.671 Base-Backbone interact. energy: -0.757 local terms energy: -194.047035 where: bonds (distance) C4'-P energy: -58.049 bonds (distance) P-C4' energy: -59.036 flat angles C4'-P-C4' energy: -42.490 flat angles P-C4'-P energy: -31.430 tors. eta vs tors. theta energy: -3.042 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: 10 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -262.436629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.436629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.436629 (E_RNA) where: Base-Base interactions energy: -102.007 where: short stacking energy: -87.018 Base-Backbone interact. energy: -0.477 local terms energy: -159.952323 where: bonds (distance) C4'-P energy: -51.622 bonds (distance) P-C4' energy: -49.892 flat angles C4'-P-C4' energy: -38.842 flat angles P-C4'-P energy: -20.806 tors. eta vs tors. theta energy: 1.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -1122.893783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.893783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.893783 (E_RNA) where: Base-Base interactions energy: -777.630 where: short stacking energy: -312.649 Base-Backbone interact. energy: 3.251 local terms energy: -348.514260 where: bonds (distance) C4'-P energy: -59.362 bonds (distance) P-C4' energy: -64.908 flat angles C4'-P-C4' energy: -73.919 flat angles P-C4'-P energy: -57.257 tors. eta vs tors. theta energy: -93.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -1044.178478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.178478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.178478 (E_RNA) where: Base-Base interactions energy: -695.683 where: short stacking energy: -319.726 Base-Backbone interact. energy: -1.882 local terms energy: -346.613858 where: bonds (distance) C4'-P energy: -67.399 bonds (distance) P-C4' energy: -69.068 flat angles C4'-P-C4' energy: -70.021 flat angles P-C4'-P energy: -47.240 tors. eta vs tors. theta energy: -92.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -1036.373246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.373246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.373246 (E_RNA) where: Base-Base interactions energy: -698.443 where: short stacking energy: -309.038 Base-Backbone interact. energy: -2.136 local terms energy: -335.794773 where: bonds (distance) C4'-P energy: -57.723 bonds (distance) P-C4' energy: -63.865 flat angles C4'-P-C4' energy: -74.702 flat angles P-C4'-P energy: -43.763 tors. eta vs tors. theta energy: -95.741 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: 2 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -958.813949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.813949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.813949 (E_RNA) where: Base-Base interactions energy: -654.773 where: short stacking energy: -271.813 Base-Backbone interact. energy: -1.433 local terms energy: -302.608431 where: bonds (distance) C4'-P energy: -56.978 bonds (distance) P-C4' energy: -67.429 flat angles C4'-P-C4' energy: -62.204 flat angles P-C4'-P energy: -38.115 tors. eta vs tors. theta energy: -77.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -951.937003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.937003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.937003 (E_RNA) where: Base-Base interactions energy: -655.280 where: short stacking energy: -284.826 Base-Backbone interact. energy: -0.138 local terms energy: -296.518847 where: bonds (distance) C4'-P energy: -48.945 bonds (distance) P-C4' energy: -58.511 flat angles C4'-P-C4' energy: -63.554 flat angles P-C4'-P energy: -47.522 tors. eta vs tors. theta energy: -77.987 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: 7 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -802.090762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.090762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.090762 (E_RNA) where: Base-Base interactions energy: -539.500 where: short stacking energy: -242.507 Base-Backbone interact. energy: -0.708 local terms energy: -261.882792 where: bonds (distance) C4'-P energy: -53.053 bonds (distance) P-C4' energy: -53.010 flat angles C4'-P-C4' energy: -53.515 flat angles P-C4'-P energy: -35.378 tors. eta vs tors. theta energy: -66.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -728.795024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.795024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.795024 (E_RNA) where: Base-Base interactions energy: -458.813 where: short stacking energy: -212.118 Base-Backbone interact. energy: -0.984 local terms energy: -268.997975 where: bonds (distance) C4'-P energy: -53.735 bonds (distance) P-C4' energy: -57.912 flat angles C4'-P-C4' energy: -59.537 flat angles P-C4'-P energy: -40.266 tors. eta vs tors. theta energy: -57.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -615.530093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.530093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.530093 (E_RNA) where: Base-Base interactions energy: -389.839 where: short stacking energy: -185.092 Base-Backbone interact. energy: -0.465 local terms energy: -225.225460 where: bonds (distance) C4'-P energy: -51.705 bonds (distance) P-C4' energy: -50.519 flat angles C4'-P-C4' energy: -47.881 flat angles P-C4'-P energy: -33.461 tors. eta vs tors. theta energy: -41.661 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: 4 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -277.332171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.332171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.332171 (E_RNA) where: Base-Base interactions energy: -94.060 where: short stacking energy: -78.708 Base-Backbone interact. energy: -0.770 local terms energy: -182.502093 where: bonds (distance) C4'-P energy: -60.152 bonds (distance) P-C4' energy: -65.254 flat angles C4'-P-C4' energy: -45.076 flat angles P-C4'-P energy: -25.432 tors. eta vs tors. theta energy: 13.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -275.156403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.156403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.156403 (E_RNA) where: Base-Base interactions energy: -122.688 where: short stacking energy: -98.188 Base-Backbone interact. energy: 4.755 local terms energy: -157.223414 where: bonds (distance) C4'-P energy: -43.670 bonds (distance) P-C4' energy: -62.789 flat angles C4'-P-C4' energy: -40.262 flat angles P-C4'-P energy: -5.628 tors. eta vs tors. theta energy: -4.874 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: 3 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -1134.424256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.424256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.424256 (E_RNA) where: Base-Base interactions energy: -770.512 where: short stacking energy: -343.811 Base-Backbone interact. energy: -2.196 local terms energy: -361.716104 where: bonds (distance) C4'-P energy: -67.242 bonds (distance) P-C4' energy: -65.642 flat angles C4'-P-C4' energy: -71.001 flat angles P-C4'-P energy: -55.218 tors. eta vs tors. theta energy: -102.612 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: 9 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -1032.227535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.227535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.227535 (E_RNA) where: Base-Base interactions energy: -701.371 where: short stacking energy: -302.723 Base-Backbone interact. energy: -0.243 local terms energy: -330.613206 where: bonds (distance) C4'-P energy: -60.663 bonds (distance) P-C4' energy: -67.712 flat angles C4'-P-C4' energy: -64.329 flat angles P-C4'-P energy: -48.516 tors. eta vs tors. theta energy: -89.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -1021.587886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.587886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.587886 (E_RNA) where: Base-Base interactions energy: -717.788 where: short stacking energy: -296.738 Base-Backbone interact. energy: -0.312 local terms energy: -303.487627 where: bonds (distance) C4'-P energy: -50.251 bonds (distance) P-C4' energy: -58.462 flat angles C4'-P-C4' energy: -67.151 flat angles P-C4'-P energy: -39.633 tors. eta vs tors. theta energy: -87.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -960.350280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.350280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.350280 (E_RNA) where: Base-Base interactions energy: -650.862 where: short stacking energy: -276.595 Base-Backbone interact. energy: -2.831 local terms energy: -306.657109 where: bonds (distance) C4'-P energy: -54.363 bonds (distance) P-C4' energy: -59.889 flat angles C4'-P-C4' energy: -65.708 flat angles P-C4'-P energy: -45.721 tors. eta vs tors. theta energy: -80.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -945.931583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.931583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.931583 (E_RNA) where: Base-Base interactions energy: -660.545 where: short stacking energy: -279.744 Base-Backbone interact. energy: -0.805 local terms energy: -284.581264 where: bonds (distance) C4'-P energy: -47.321 bonds (distance) P-C4' energy: -58.292 flat angles C4'-P-C4' energy: -60.154 flat angles P-C4'-P energy: -44.776 tors. eta vs tors. theta energy: -74.037 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: 198 Temperature: 1.150000 Total energy: -845.416039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.416039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.416039 (E_RNA) where: Base-Base interactions energy: -575.572 where: short stacking energy: -254.371 Base-Backbone interact. energy: -1.569 local terms energy: -268.274263 where: bonds (distance) C4'-P energy: -58.272 bonds (distance) P-C4' energy: -46.136 flat angles C4'-P-C4' energy: -66.763 flat angles P-C4'-P energy: -30.819 tors. eta vs tors. theta energy: -66.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -746.960312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.960312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.960312 (E_RNA) where: Base-Base interactions energy: -496.052 where: short stacking energy: -236.161 Base-Backbone interact. energy: -0.096 local terms energy: -250.812182 where: bonds (distance) C4'-P energy: -57.812 bonds (distance) P-C4' energy: -48.260 flat angles C4'-P-C4' energy: -57.109 flat angles P-C4'-P energy: -27.266 tors. eta vs tors. theta energy: -60.364 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: 8, replica: 6 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -608.030454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.030454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.030454 (E_RNA) where: Base-Base interactions energy: -362.938 where: short stacking energy: -180.800 Base-Backbone interact. energy: -1.549 local terms energy: -243.543613 where: bonds (distance) C4'-P energy: -51.662 bonds (distance) P-C4' energy: -54.291 flat angles C4'-P-C4' energy: -63.865 flat angles P-C4'-P energy: -40.474 tors. eta vs tors. theta energy: -33.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -320.784157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.784157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.784157 (E_RNA) where: Base-Base interactions energy: -136.538 where: short stacking energy: -96.682 Base-Backbone interact. energy: 1.575 local terms energy: -185.821866 where: bonds (distance) C4'-P energy: -57.284 bonds (distance) P-C4' energy: -54.730 flat angles C4'-P-C4' energy: -40.802 flat angles P-C4'-P energy: -31.336 tors. eta vs tors. theta energy: -1.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -301.840100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.840100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.840100 (E_RNA) where: Base-Base interactions energy: -106.338 where: short stacking energy: -96.523 Base-Backbone interact. energy: -0.313 local terms energy: -195.189748 where: bonds (distance) C4'-P energy: -50.392 bonds (distance) P-C4' energy: -61.483 flat angles C4'-P-C4' energy: -36.470 flat angles P-C4'-P energy: -32.045 tors. eta vs tors. theta energy: -14.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -1138.478088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.478088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.478088 (E_RNA) where: Base-Base interactions energy: -801.549 where: short stacking energy: -335.101 Base-Backbone interact. energy: -1.753 local terms energy: -335.176306 where: bonds (distance) C4'-P energy: -63.380 bonds (distance) P-C4' energy: -55.036 flat angles C4'-P-C4' energy: -70.161 flat angles P-C4'-P energy: -48.236 tors. eta vs tors. theta energy: -98.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -1032.334796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.334796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.334796 (E_RNA) where: Base-Base interactions energy: -697.100 where: short stacking energy: -299.579 Base-Backbone interact. energy: -1.397 local terms energy: -333.837095 where: bonds (distance) C4'-P energy: -64.483 bonds (distance) P-C4' energy: -70.413 flat angles C4'-P-C4' energy: -70.940 flat angles P-C4'-P energy: -43.215 tors. eta vs tors. theta energy: -84.785 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: 1 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -1038.788527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.788527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.788527 (E_RNA) where: Base-Base interactions energy: -712.814 where: short stacking energy: -311.576 Base-Backbone interact. energy: -1.614 local terms energy: -324.360407 where: bonds (distance) C4'-P energy: -50.610 bonds (distance) P-C4' energy: -62.805 flat angles C4'-P-C4' energy: -71.141 flat angles P-C4'-P energy: -44.393 tors. eta vs tors. theta energy: -95.412 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: 5 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -999.339763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.339763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.339763 (E_RNA) where: Base-Base interactions energy: -683.524 where: short stacking energy: -308.399 Base-Backbone interact. energy: -0.225 local terms energy: -315.590908 where: bonds (distance) C4'-P energy: -48.215 bonds (distance) P-C4' energy: -64.797 flat angles C4'-P-C4' energy: -72.976 flat angles P-C4'-P energy: -38.463 tors. eta vs tors. theta energy: -91.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -931.583258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.583258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.583258 (E_RNA) where: Base-Base interactions energy: -619.618 where: short stacking energy: -267.629 Base-Backbone interact. energy: -2.457 local terms energy: -309.507902 where: bonds (distance) C4'-P energy: -55.911 bonds (distance) P-C4' energy: -73.098 flat angles C4'-P-C4' energy: -60.214 flat angles P-C4'-P energy: -40.209 tors. eta vs tors. theta energy: -80.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -859.989484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.989484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.989484 (E_RNA) where: Base-Base interactions energy: -579.186 where: short stacking energy: -242.926 Base-Backbone interact. energy: -2.459 local terms energy: -278.344813 where: bonds (distance) C4'-P energy: -61.754 bonds (distance) P-C4' energy: -60.035 flat angles C4'-P-C4' energy: -55.557 flat angles P-C4'-P energy: -32.799 tors. eta vs tors. theta energy: -68.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -722.073780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.073780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.073780 (E_RNA) where: Base-Base interactions energy: -468.924 where: short stacking energy: -210.373 Base-Backbone interact. energy: -0.567 local terms energy: -252.582393 where: bonds (distance) C4'-P energy: -60.730 bonds (distance) P-C4' energy: -53.071 flat angles C4'-P-C4' energy: -58.754 flat angles P-C4'-P energy: -27.803 tors. eta vs tors. theta energy: -52.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -623.775141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.775141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.775141 (E_RNA) where: Base-Base interactions energy: -390.679 where: short stacking energy: -185.110 Base-Backbone interact. energy: -1.995 local terms energy: -231.100585 where: bonds (distance) C4'-P energy: -49.202 bonds (distance) P-C4' energy: -50.875 flat angles C4'-P-C4' energy: -52.463 flat angles P-C4'-P energy: -40.355 tors. eta vs tors. theta energy: -38.205 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: 10 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -333.316172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.316172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.316172 (E_RNA) where: Base-Base interactions energy: -158.705 where: short stacking energy: -97.426 Base-Backbone interact. energy: 1.444 local terms energy: -176.055091 where: bonds (distance) C4'-P energy: -52.593 bonds (distance) P-C4' energy: -54.784 flat angles C4'-P-C4' energy: -45.685 flat angles P-C4'-P energy: -29.661 tors. eta vs tors. theta energy: 6.669 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: 4 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -263.495123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.495123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.495123 (E_RNA) where: Base-Base interactions energy: -91.624 where: short stacking energy: -85.823 Base-Backbone interact. energy: -1.052 local terms energy: -170.818950 where: bonds (distance) C4'-P energy: -53.578 bonds (distance) P-C4' energy: -59.035 flat angles C4'-P-C4' energy: -49.211 flat angles P-C4'-P energy: -13.972 tors. eta vs tors. theta energy: 4.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -1123.086237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.086237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.086237 (E_RNA) where: Base-Base interactions energy: -765.687 where: short stacking energy: -309.451 Base-Backbone interact. energy: -1.060 local terms energy: -356.339477 where: bonds (distance) C4'-P energy: -72.834 bonds (distance) P-C4' energy: -63.857 flat angles C4'-P-C4' energy: -78.432 flat angles P-C4'-P energy: -41.821 tors. eta vs tors. theta energy: -99.396 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: 200 Temperature: 0.950000 Total energy: -1042.283450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.283450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.283450 (E_RNA) where: Base-Base interactions energy: -707.258 where: short stacking energy: -303.091 Base-Backbone interact. energy: -2.326 local terms energy: -332.699589 where: bonds (distance) C4'-P energy: -62.633 bonds (distance) P-C4' energy: -64.631 flat angles C4'-P-C4' energy: -64.927 flat angles P-C4'-P energy: -52.304 tors. eta vs tors. theta energy: -88.204 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: 3, replica: 1 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -1055.236875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.236875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.236875 (E_RNA) where: Base-Base interactions energy: -735.091 where: short stacking energy: -323.875 Base-Backbone interact. energy: 0.222 local terms energy: -320.368469 where: bonds (distance) C4'-P energy: -61.713 bonds (distance) P-C4' energy: -58.511 flat angles C4'-P-C4' energy: -71.130 flat angles P-C4'-P energy: -32.748 tors. eta vs tors. theta energy: -96.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -984.565597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.565597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.565597 (E_RNA) where: Base-Base interactions energy: -690.089 where: short stacking energy: -284.242 Base-Backbone interact. energy: -0.102 local terms energy: -294.374542 where: bonds (distance) C4'-P energy: -52.481 bonds (distance) P-C4' energy: -49.240 flat angles C4'-P-C4' energy: -63.043 flat angles P-C4'-P energy: -47.201 tors. eta vs tors. theta energy: -82.410 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: 200 Temperature: 1.100000 Total energy: -909.314546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.314546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.314546 (E_RNA) where: Base-Base interactions energy: -628.305 where: short stacking energy: -271.963 Base-Backbone interact. energy: -1.568 local terms energy: -279.441001 where: bonds (distance) C4'-P energy: -49.021 bonds (distance) P-C4' energy: -50.906 flat angles C4'-P-C4' energy: -62.207 flat angles P-C4'-P energy: -40.018 tors. eta vs tors. theta energy: -77.288 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: 7 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -848.265367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.265367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.265367 (E_RNA) where: Base-Base interactions energy: -562.389 where: short stacking energy: -234.515 Base-Backbone interact. energy: -2.756 local terms energy: -283.120464 where: bonds (distance) C4'-P energy: -60.585 bonds (distance) P-C4' energy: -60.834 flat angles C4'-P-C4' energy: -65.909 flat angles P-C4'-P energy: -36.901 tors. eta vs tors. theta energy: -58.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -729.693306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.693306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.693306 (E_RNA) where: Base-Base interactions energy: -485.879 where: short stacking energy: -233.922 Base-Backbone interact. energy: 0.186 local terms energy: -244.001042 where: bonds (distance) C4'-P energy: -46.260 bonds (distance) P-C4' energy: -42.505 flat angles C4'-P-C4' energy: -55.397 flat angles P-C4'-P energy: -40.806 tors. eta vs tors. theta energy: -59.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -601.980026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.980026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.980026 (E_RNA) where: Base-Base interactions energy: -374.508 where: short stacking energy: -180.567 Base-Backbone interact. energy: -0.917 local terms energy: -226.554688 where: bonds (distance) C4'-P energy: -44.860 bonds (distance) P-C4' energy: -55.215 flat angles C4'-P-C4' energy: -57.177 flat angles P-C4'-P energy: -36.482 tors. eta vs tors. theta energy: -32.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -361.281425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.281425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.281425 (E_RNA) where: Base-Base interactions energy: -175.584 where: short stacking energy: -99.081 Base-Backbone interact. energy: -2.096 local terms energy: -183.601748 where: bonds (distance) C4'-P energy: -52.596 bonds (distance) P-C4' energy: -62.635 flat angles C4'-P-C4' energy: -55.830 flat angles P-C4'-P energy: -15.612 tors. eta vs tors. theta energy: 3.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -265.917839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.917839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.917839 (E_RNA) where: Base-Base interactions energy: -96.185 where: short stacking energy: -80.382 Base-Backbone interact. energy: -0.582 local terms energy: -169.150185 where: bonds (distance) C4'-P energy: -56.606 bonds (distance) P-C4' energy: -51.304 flat angles C4'-P-C4' energy: -40.160 flat angles P-C4'-P energy: -20.734 tors. eta vs tors. theta energy: -0.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -1118.517321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.517321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.517321 (E_RNA) where: Base-Base interactions energy: -774.048 where: short stacking energy: -316.813 Base-Backbone interact. energy: -2.325 local terms energy: -342.144117 where: bonds (distance) C4'-P energy: -59.823 bonds (distance) P-C4' energy: -71.505 flat angles C4'-P-C4' energy: -69.691 flat angles P-C4'-P energy: -53.807 tors. eta vs tors. theta energy: -87.318 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: 1 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -1082.053940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.053940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.053940 (E_RNA) where: Base-Base interactions energy: -733.874 where: short stacking energy: -317.039 Base-Backbone interact. energy: -0.706 local terms energy: -347.473154 where: bonds (distance) C4'-P energy: -57.629 bonds (distance) P-C4' energy: -65.137 flat angles C4'-P-C4' energy: -77.472 flat angles P-C4'-P energy: -46.188 tors. eta vs tors. theta energy: -101.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -1018.380594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.380594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.380594 (E_RNA) where: Base-Base interactions energy: -690.474 where: short stacking energy: -286.258 Base-Backbone interact. energy: -1.928 local terms energy: -325.978260 where: bonds (distance) C4'-P energy: -58.655 bonds (distance) P-C4' energy: -62.451 flat angles C4'-P-C4' energy: -70.065 flat angles P-C4'-P energy: -45.928 tors. eta vs tors. theta energy: -88.880 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: 4, replica: 5 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -1011.181958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.181958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.181958 (E_RNA) where: Base-Base interactions energy: -700.573 where: short stacking energy: -315.259 Base-Backbone interact. energy: 0.007 local terms energy: -310.616163 where: bonds (distance) C4'-P energy: -47.875 bonds (distance) P-C4' energy: -60.941 flat angles C4'-P-C4' energy: -73.265 flat angles P-C4'-P energy: -37.114 tors. eta vs tors. theta energy: -91.421 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: 201 Temperature: 1.100000 Total energy: -955.335691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.335691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.335691 (E_RNA) where: Base-Base interactions energy: -652.230 where: short stacking energy: -292.565 Base-Backbone interact. energy: -4.146 local terms energy: -298.959738 where: bonds (distance) C4'-P energy: -55.292 bonds (distance) P-C4' energy: -58.060 flat angles C4'-P-C4' energy: -67.759 flat angles P-C4'-P energy: -36.853 tors. eta vs tors. theta energy: -80.997 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: 7 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -857.443150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.443150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.443150 (E_RNA) where: Base-Base interactions energy: -565.882 where: short stacking energy: -263.475 Base-Backbone interact. energy: -3.749 local terms energy: -287.811609 where: bonds (distance) C4'-P energy: -57.072 bonds (distance) P-C4' energy: -51.666 flat angles C4'-P-C4' energy: -67.905 flat angles P-C4'-P energy: -30.392 tors. eta vs tors. theta energy: -80.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -750.433499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.433499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.433499 (E_RNA) where: Base-Base interactions energy: -498.655 where: short stacking energy: -230.719 Base-Backbone interact. energy: -2.049 local terms energy: -249.729029 where: bonds (distance) C4'-P energy: -55.014 bonds (distance) P-C4' energy: -53.563 flat angles C4'-P-C4' energy: -55.075 flat angles P-C4'-P energy: -23.004 tors. eta vs tors. theta energy: -63.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -612.148623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.148623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.148623 (E_RNA) where: Base-Base interactions energy: -367.890 where: short stacking energy: -179.187 Base-Backbone interact. energy: -0.573 local terms energy: -243.685068 where: bonds (distance) C4'-P energy: -56.897 bonds (distance) P-C4' energy: -57.122 flat angles C4'-P-C4' energy: -54.396 flat angles P-C4'-P energy: -40.965 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: 10 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -341.473380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.473380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.473380 (E_RNA) where: Base-Base interactions energy: -154.493 where: short stacking energy: -89.821 Base-Backbone interact. energy: 2.167 local terms energy: -189.148277 where: bonds (distance) C4'-P energy: -51.347 bonds (distance) P-C4' energy: -58.838 flat angles C4'-P-C4' energy: -48.399 flat angles P-C4'-P energy: -35.009 tors. eta vs tors. theta energy: 4.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -251.080628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -251.080628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -251.080628 (E_RNA) where: Base-Base interactions energy: -102.774 where: short stacking energy: -74.777 Base-Backbone interact. energy: -1.720 local terms energy: -146.586446 where: bonds (distance) C4'-P energy: -32.421 bonds (distance) P-C4' energy: -65.628 flat angles C4'-P-C4' energy: -40.747 flat angles P-C4'-P energy: -19.002 tors. eta vs tors. theta energy: 11.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -1126.730868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.730868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.730868 (E_RNA) where: Base-Base interactions energy: -775.534 where: short stacking energy: -341.703 Base-Backbone interact. energy: -1.909 local terms energy: -349.288208 where: bonds (distance) C4'-P energy: -66.931 bonds (distance) P-C4' energy: -67.047 flat angles C4'-P-C4' energy: -70.268 flat angles P-C4'-P energy: -46.718 tors. eta vs tors. theta energy: -98.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -1070.413267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.413267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.413267 (E_RNA) where: Base-Base interactions energy: -712.154 where: short stacking energy: -303.496 Base-Backbone interact. energy: -1.900 local terms energy: -356.359356 where: bonds (distance) C4'-P energy: -65.408 bonds (distance) P-C4' energy: -63.106 flat angles C4'-P-C4' energy: -73.130 flat angles P-C4'-P energy: -54.167 tors. eta vs tors. theta energy: -100.548 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: 9 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -1020.536278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.536278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.536278 (E_RNA) where: Base-Base interactions energy: -705.526 where: short stacking energy: -307.655 Base-Backbone interact. energy: -0.083 local terms energy: -314.927712 where: bonds (distance) C4'-P energy: -47.759 bonds (distance) P-C4' energy: -68.496 flat angles C4'-P-C4' energy: -67.541 flat angles P-C4'-P energy: -44.445 tors. eta vs tors. theta energy: -86.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -1024.261707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.261707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.261707 (E_RNA) where: Base-Base interactions energy: -699.664 where: short stacking energy: -306.979 Base-Backbone interact. energy: -0.280 local terms energy: -324.318007 where: bonds (distance) C4'-P energy: -49.824 bonds (distance) P-C4' energy: -62.169 flat angles C4'-P-C4' energy: -70.997 flat angles P-C4'-P energy: -54.351 tors. eta vs tors. theta energy: -86.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -948.327617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.327617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.327617 (E_RNA) where: Base-Base interactions energy: -642.888 where: short stacking energy: -268.282 Base-Backbone interact. energy: -0.398 local terms energy: -305.040853 where: bonds (distance) C4'-P energy: -60.803 bonds (distance) P-C4' energy: -60.579 flat angles C4'-P-C4' energy: -66.736 flat angles P-C4'-P energy: -32.463 tors. eta vs tors. theta energy: -84.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -906.811007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.811007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.811007 (E_RNA) where: Base-Base interactions energy: -620.752 where: short stacking energy: -248.395 Base-Backbone interact. energy: -1.154 local terms energy: -284.905511 where: bonds (distance) C4'-P energy: -61.474 bonds (distance) P-C4' energy: -61.058 flat angles C4'-P-C4' energy: -60.870 flat angles P-C4'-P energy: -37.815 tors. eta vs tors. theta energy: -63.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -721.246190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.246190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.246190 (E_RNA) where: Base-Base interactions energy: -457.004 where: short stacking energy: -211.403 Base-Backbone interact. energy: 0.086 local terms energy: -264.327792 where: bonds (distance) C4'-P energy: -45.035 bonds (distance) P-C4' energy: -57.002 flat angles C4'-P-C4' energy: -53.800 flat angles P-C4'-P energy: -46.548 tors. eta vs tors. theta energy: -61.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -583.967802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.967802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.967802 (E_RNA) where: Base-Base interactions energy: -340.656 where: short stacking energy: -162.458 Base-Backbone interact. energy: -1.301 local terms energy: -242.010446 where: bonds (distance) C4'-P energy: -55.622 bonds (distance) P-C4' energy: -63.720 flat angles C4'-P-C4' energy: -55.706 flat angles P-C4'-P energy: -38.773 tors. eta vs tors. theta energy: -28.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -383.227053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.227053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.227053 (E_RNA) where: Base-Base interactions energy: -198.552 where: short stacking energy: -101.799 Base-Backbone interact. energy: -1.148 local terms energy: -183.526982 where: bonds (distance) C4'-P energy: -52.854 bonds (distance) P-C4' energy: -55.582 flat angles C4'-P-C4' energy: -41.099 flat angles P-C4'-P energy: -31.058 tors. eta vs tors. theta energy: -2.935 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: 10, replica: 4 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -258.529124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.529124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.529124 (E_RNA) where: Base-Base interactions energy: -69.934 where: short stacking energy: -63.701 Base-Backbone interact. energy: 0.438 local terms energy: -189.032872 where: bonds (distance) C4'-P energy: -54.218 bonds (distance) P-C4' energy: -47.070 flat angles C4'-P-C4' energy: -54.097 flat angles P-C4'-P energy: -34.645 tors. eta vs tors. theta energy: 0.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -1120.151889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.151889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.151889 (E_RNA) where: Base-Base interactions energy: -773.609 where: short stacking energy: -332.433 Base-Backbone interact. energy: -2.024 local terms energy: -344.519349 where: bonds (distance) C4'-P energy: -59.204 bonds (distance) P-C4' energy: -66.061 flat angles C4'-P-C4' energy: -70.327 flat angles P-C4'-P energy: -48.760 tors. eta vs tors. theta energy: -100.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -1080.545111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.545111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.545111 (E_RNA) where: Base-Base interactions energy: -732.913 where: short stacking energy: -325.087 Base-Backbone interact. energy: 0.148 local terms energy: -347.779864 where: bonds (distance) C4'-P energy: -60.975 bonds (distance) P-C4' energy: -66.640 flat angles C4'-P-C4' energy: -65.436 flat angles P-C4'-P energy: -54.903 tors. eta vs tors. theta energy: -99.825 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: 203 Temperature: 1.000000 Total energy: -1027.324161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.324161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.324161 (E_RNA) where: Base-Base interactions energy: -720.810 where: short stacking energy: -295.080 Base-Backbone interact. energy: -2.871 local terms energy: -303.643660 where: bonds (distance) C4'-P energy: -61.953 bonds (distance) P-C4' energy: -56.851 flat angles C4'-P-C4' energy: -61.204 flat angles P-C4'-P energy: -33.920 tors. eta vs tors. theta energy: -89.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -998.623240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.623240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.623240 (E_RNA) where: Base-Base interactions energy: -695.005 where: short stacking energy: -314.528 Base-Backbone interact. energy: 0.614 local terms energy: -304.232758 where: bonds (distance) C4'-P energy: -56.877 bonds (distance) P-C4' energy: -49.230 flat angles C4'-P-C4' energy: -68.983 flat angles P-C4'-P energy: -42.728 tors. eta vs tors. theta energy: -86.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -937.532282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.532282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.532282 (E_RNA) where: Base-Base interactions energy: -640.846 where: short stacking energy: -299.328 Base-Backbone interact. energy: 1.248 local terms energy: -297.934728 where: bonds (distance) C4'-P energy: -52.034 bonds (distance) P-C4' energy: -59.178 flat angles C4'-P-C4' energy: -64.244 flat angles P-C4'-P energy: -39.598 tors. eta vs tors. theta energy: -82.881 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: 7 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -942.351692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.351692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.351692 (E_RNA) where: Base-Base interactions energy: -622.935 where: short stacking energy: -267.831 Base-Backbone interact. energy: 2.785 local terms energy: -322.202401 where: bonds (distance) C4'-P energy: -63.277 bonds (distance) P-C4' energy: -63.597 flat angles C4'-P-C4' energy: -63.872 flat angles P-C4'-P energy: -47.553 tors. eta vs tors. theta energy: -83.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -737.874069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.874069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.874069 (E_RNA) where: Base-Base interactions energy: -483.711 where: short stacking energy: -229.063 Base-Backbone interact. energy: -0.503 local terms energy: -253.660384 where: bonds (distance) C4'-P energy: -53.759 bonds (distance) P-C4' energy: -46.515 flat angles C4'-P-C4' energy: -58.977 flat angles P-C4'-P energy: -38.616 tors. eta vs tors. theta energy: -55.793 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: 8, replica: 6 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -631.230126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.230126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.230126 (E_RNA) where: Base-Base interactions energy: -397.586 where: short stacking energy: -180.500 Base-Backbone interact. energy: 0.076 local terms energy: -233.720541 where: bonds (distance) C4'-P energy: -62.756 bonds (distance) P-C4' energy: -50.011 flat angles C4'-P-C4' energy: -62.872 flat angles P-C4'-P energy: -24.503 tors. eta vs tors. theta energy: -33.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -397.879625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.879625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.879625 (E_RNA) where: Base-Base interactions energy: -201.809 where: short stacking energy: -123.522 Base-Backbone interact. energy: 4.410 local terms energy: -200.480868 where: bonds (distance) C4'-P energy: -58.025 bonds (distance) P-C4' energy: -58.379 flat angles C4'-P-C4' energy: -48.734 flat angles P-C4'-P energy: -28.732 tors. eta vs tors. theta energy: -6.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -265.710973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.710973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.710973 (E_RNA) where: Base-Base interactions energy: -92.309 where: short stacking energy: -72.419 Base-Backbone interact. energy: -0.765 local terms energy: -172.636401 where: bonds (distance) C4'-P energy: -55.639 bonds (distance) P-C4' energy: -52.908 flat angles C4'-P-C4' energy: -43.808 flat angles P-C4'-P energy: -17.710 tors. eta vs tors. theta energy: -2.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -1128.324412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.324412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.324412 (E_RNA) where: Base-Base interactions energy: -779.990 where: short stacking energy: -330.276 Base-Backbone interact. energy: 1.076 local terms energy: -349.410512 where: bonds (distance) C4'-P energy: -63.598 bonds (distance) P-C4' energy: -63.572 flat angles C4'-P-C4' energy: -74.190 flat angles P-C4'-P energy: -52.820 tors. eta vs tors. theta energy: -95.231 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: 1 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -1066.402878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.402878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.402878 (E_RNA) where: Base-Base interactions energy: -716.987 where: short stacking energy: -304.338 Base-Backbone interact. energy: -0.599 local terms energy: -348.816412 where: bonds (distance) C4'-P energy: -66.691 bonds (distance) P-C4' energy: -77.618 flat angles C4'-P-C4' energy: -61.459 flat angles P-C4'-P energy: -49.915 tors. eta vs tors. theta energy: -93.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -1034.308243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.308243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.308243 (E_RNA) where: Base-Base interactions energy: -706.528 where: short stacking energy: -328.987 Base-Backbone interact. energy: -0.465 local terms energy: -327.315012 where: bonds (distance) C4'-P energy: -60.021 bonds (distance) P-C4' energy: -54.594 flat angles C4'-P-C4' energy: -65.723 flat angles P-C4'-P energy: -52.041 tors. eta vs tors. theta energy: -94.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -994.373253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.373253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.373253 (E_RNA) where: Base-Base interactions energy: -683.624 where: short stacking energy: -298.634 Base-Backbone interact. energy: -2.269 local terms energy: -308.479647 where: bonds (distance) C4'-P energy: -44.677 bonds (distance) P-C4' energy: -67.120 flat angles C4'-P-C4' energy: -69.982 flat angles P-C4'-P energy: -38.763 tors. eta vs tors. theta energy: -87.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -980.217344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.217344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.217344 (E_RNA) where: Base-Base interactions energy: -653.819 where: short stacking energy: -285.870 Base-Backbone interact. energy: -0.641 local terms energy: -325.757786 where: bonds (distance) C4'-P energy: -58.107 bonds (distance) P-C4' energy: -68.488 flat angles C4'-P-C4' energy: -68.319 flat angles P-C4'-P energy: -39.465 tors. eta vs tors. theta energy: -91.379 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: 2 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -893.123468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.123468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.123468 (E_RNA) where: Base-Base interactions energy: -591.896 where: short stacking energy: -267.145 Base-Backbone interact. energy: -0.797 local terms energy: -300.430620 where: bonds (distance) C4'-P energy: -51.738 bonds (distance) P-C4' energy: -63.123 flat angles C4'-P-C4' energy: -58.776 flat angles P-C4'-P energy: -48.037 tors. eta vs tors. theta energy: -78.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -769.799836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.799836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.799836 (E_RNA) where: Base-Base interactions energy: -504.181 where: short stacking energy: -213.629 Base-Backbone interact. energy: -1.019 local terms energy: -264.599710 where: bonds (distance) C4'-P energy: -50.610 bonds (distance) P-C4' energy: -63.007 flat angles C4'-P-C4' energy: -61.851 flat angles P-C4'-P energy: -31.074 tors. eta vs tors. theta energy: -58.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -596.567864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.567864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.567864 (E_RNA) where: Base-Base interactions energy: -355.738 where: short stacking energy: -178.044 Base-Backbone interact. energy: -1.240 local terms energy: -239.589407 where: bonds (distance) C4'-P energy: -53.147 bonds (distance) P-C4' energy: -46.005 flat angles C4'-P-C4' energy: -69.277 flat angles P-C4'-P energy: -38.289 tors. eta vs tors. theta energy: -32.871 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: 9, replica: 10 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -468.478709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.478709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.478709 (E_RNA) where: Base-Base interactions energy: -254.779 where: short stacking energy: -140.042 Base-Backbone interact. energy: -0.101 local terms energy: -213.598613 where: bonds (distance) C4'-P energy: -58.251 bonds (distance) P-C4' energy: -57.386 flat angles C4'-P-C4' energy: -40.204 flat angles P-C4'-P energy: -35.336 tors. eta vs tors. theta energy: -22.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -259.740113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.740113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.740113 (E_RNA) where: Base-Base interactions energy: -92.034 where: short stacking energy: -58.313 Base-Backbone interact. energy: -0.286 local terms energy: -167.419253 where: bonds (distance) C4'-P energy: -56.806 bonds (distance) P-C4' energy: -57.028 flat angles C4'-P-C4' energy: -52.596 flat angles P-C4'-P energy: -15.120 tors. eta vs tors. theta energy: 14.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -1122.502918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.502918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.502918 (E_RNA) where: Base-Base interactions energy: -760.044 where: short stacking energy: -328.422 Base-Backbone interact. energy: -0.057 local terms energy: -362.402026 where: bonds (distance) C4'-P energy: -70.736 bonds (distance) P-C4' energy: -59.133 flat angles C4'-P-C4' energy: -72.449 flat angles P-C4'-P energy: -55.879 tors. eta vs tors. theta energy: -104.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -1057.697026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.697026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.697026 (E_RNA) where: Base-Base interactions energy: -726.231 where: short stacking energy: -320.102 Base-Backbone interact. energy: -0.966 local terms energy: -330.499809 where: bonds (distance) C4'-P energy: -63.472 bonds (distance) P-C4' energy: -61.680 flat angles C4'-P-C4' energy: -63.819 flat angles P-C4'-P energy: -46.759 tors. eta vs tors. theta energy: -94.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -1046.850747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.850747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.850747 (E_RNA) where: Base-Base interactions energy: -697.654 where: short stacking energy: -295.766 Base-Backbone interact. energy: -2.091 local terms energy: -347.105909 where: bonds (distance) C4'-P energy: -56.170 bonds (distance) P-C4' energy: -67.310 flat angles C4'-P-C4' energy: -74.783 flat angles P-C4'-P energy: -53.611 tors. eta vs tors. theta energy: -95.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -993.157841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.157841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.157841 (E_RNA) where: Base-Base interactions energy: -676.606 where: short stacking energy: -283.825 Base-Backbone interact. energy: -2.286 local terms energy: -314.264910 where: bonds (distance) C4'-P energy: -50.949 bonds (distance) P-C4' energy: -65.524 flat angles C4'-P-C4' energy: -65.142 flat angles P-C4'-P energy: -44.053 tors. eta vs tors. theta energy: -88.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -917.497835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.497835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.497835 (E_RNA) where: Base-Base interactions energy: -626.276 where: short stacking energy: -257.217 Base-Backbone interact. energy: 2.855 local terms energy: -294.076991 where: bonds (distance) C4'-P energy: -59.819 bonds (distance) P-C4' energy: -56.318 flat angles C4'-P-C4' energy: -65.789 flat angles P-C4'-P energy: -39.503 tors. eta vs tors. theta energy: -72.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -893.260869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.260869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.260869 (E_RNA) where: Base-Base interactions energy: -597.046 where: short stacking energy: -278.649 Base-Backbone interact. energy: -1.100 local terms energy: -295.114366 where: bonds (distance) C4'-P energy: -53.128 bonds (distance) P-C4' energy: -47.534 flat angles C4'-P-C4' energy: -64.778 flat angles P-C4'-P energy: -47.290 tors. eta vs tors. theta energy: -82.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -754.918138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.918138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.918138 (E_RNA) where: Base-Base interactions energy: -488.197 where: short stacking energy: -231.495 Base-Backbone interact. energy: -1.690 local terms energy: -265.031584 where: bonds (distance) C4'-P energy: -49.329 bonds (distance) P-C4' energy: -64.245 flat angles C4'-P-C4' energy: -61.564 flat angles P-C4'-P energy: -40.616 tors. eta vs tors. theta energy: -49.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -607.040562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.040562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.040562 (E_RNA) where: Base-Base interactions energy: -381.819 where: short stacking energy: -181.666 Base-Backbone interact. energy: -0.997 local terms energy: -224.224450 where: bonds (distance) C4'-P energy: -48.214 bonds (distance) P-C4' energy: -47.670 flat angles C4'-P-C4' energy: -52.502 flat angles P-C4'-P energy: -40.821 tors. eta vs tors. theta energy: -35.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -495.760414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.760414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.760414 (E_RNA) where: Base-Base interactions energy: -271.732 where: short stacking energy: -149.598 Base-Backbone interact. energy: 2.953 local terms energy: -226.982231 where: bonds (distance) C4'-P energy: -61.146 bonds (distance) P-C4' energy: -50.116 flat angles C4'-P-C4' energy: -59.003 flat angles P-C4'-P energy: -33.900 tors. eta vs tors. theta energy: -22.817 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: 4 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -270.309971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.309971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.309971 (E_RNA) where: Base-Base interactions energy: -105.828 where: short stacking energy: -88.766 Base-Backbone interact. energy: 3.560 local terms energy: -168.042465 where: bonds (distance) C4'-P energy: -48.286 bonds (distance) P-C4' energy: -63.224 flat angles C4'-P-C4' energy: -39.660 flat angles P-C4'-P energy: -18.511 tors. eta vs tors. theta energy: 1.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -1125.404405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.404405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.404405 (E_RNA) where: Base-Base interactions energy: -769.204 where: short stacking energy: -326.486 Base-Backbone interact. energy: -1.528 local terms energy: -354.672615 where: bonds (distance) C4'-P energy: -67.295 bonds (distance) P-C4' energy: -67.587 flat angles C4'-P-C4' energy: -76.293 flat angles P-C4'-P energy: -43.555 tors. eta vs tors. theta energy: -99.942 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: 2, replica: 5 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -1058.598996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.598996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.598996 (E_RNA) where: Base-Base interactions energy: -723.042 where: short stacking energy: -323.701 Base-Backbone interact. energy: -0.644 local terms energy: -334.913102 where: bonds (distance) C4'-P energy: -59.060 bonds (distance) P-C4' energy: -64.716 flat angles C4'-P-C4' energy: -70.644 flat angles P-C4'-P energy: -49.775 tors. eta vs tors. theta energy: -90.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -1056.276471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.276471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.276471 (E_RNA) where: Base-Base interactions energy: -724.509 where: short stacking energy: -298.141 Base-Backbone interact. energy: 0.058 local terms energy: -331.825376 where: bonds (distance) C4'-P energy: -55.397 bonds (distance) P-C4' energy: -62.543 flat angles C4'-P-C4' energy: -66.857 flat angles P-C4'-P energy: -54.845 tors. eta vs tors. theta energy: -92.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -1004.425281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.425281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.425281 (E_RNA) where: Base-Base interactions energy: -690.448 where: short stacking energy: -292.249 Base-Backbone interact. energy: -2.577 local terms energy: -311.400193 where: bonds (distance) C4'-P energy: -70.141 bonds (distance) P-C4' energy: -54.002 flat angles C4'-P-C4' energy: -63.205 flat angles P-C4'-P energy: -43.112 tors. eta vs tors. theta energy: -80.941 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: 7 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -924.686783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.686783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.686783 (E_RNA) where: Base-Base interactions energy: -623.416 where: short stacking energy: -258.737 Base-Backbone interact. energy: 2.234 local terms energy: -303.505281 where: bonds (distance) C4'-P energy: -54.697 bonds (distance) P-C4' energy: -71.385 flat angles C4'-P-C4' energy: -61.716 flat angles P-C4'-P energy: -39.528 tors. eta vs tors. theta energy: -76.179 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: 6, replica: 2 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -898.386916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.386916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.386916 (E_RNA) where: Base-Base interactions energy: -590.406 where: short stacking energy: -270.977 Base-Backbone interact. energy: -1.621 local terms energy: -306.360076 where: bonds (distance) C4'-P energy: -51.094 bonds (distance) P-C4' energy: -56.569 flat angles C4'-P-C4' energy: -75.644 flat angles P-C4'-P energy: -42.863 tors. eta vs tors. theta energy: -80.190 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: 6 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -647.545765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.545765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.545765 (E_RNA) where: Base-Base interactions energy: -416.249 where: short stacking energy: -184.766 Base-Backbone interact. energy: 3.601 local terms energy: -234.897880 where: bonds (distance) C4'-P energy: -48.283 bonds (distance) P-C4' energy: -52.320 flat angles C4'-P-C4' energy: -58.194 flat angles P-C4'-P energy: -32.344 tors. eta vs tors. theta energy: -43.758 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: 8 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -724.661927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.661927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.661927 (E_RNA) where: Base-Base interactions energy: -463.325 where: short stacking energy: -202.852 Base-Backbone interact. energy: 0.316 local terms energy: -261.652822 where: bonds (distance) C4'-P energy: -58.385 bonds (distance) P-C4' energy: -53.462 flat angles C4'-P-C4' energy: -60.499 flat angles P-C4'-P energy: -34.332 tors. eta vs tors. theta energy: -54.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -549.803654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.803654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.803654 (E_RNA) where: Base-Base interactions energy: -318.466 where: short stacking energy: -155.430 Base-Backbone interact. energy: -0.139 local terms energy: -231.199447 where: bonds (distance) C4'-P energy: -45.305 bonds (distance) P-C4' energy: -57.300 flat angles C4'-P-C4' energy: -52.151 flat angles P-C4'-P energy: -43.988 tors. eta vs tors. theta energy: -32.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -273.473258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.473258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.473258 (E_RNA) where: Base-Base interactions energy: -98.104 where: short stacking energy: -93.811 Base-Backbone interact. energy: 1.193 local terms energy: -176.561960 where: bonds (distance) C4'-P energy: -41.623 bonds (distance) P-C4' energy: -56.096 flat angles C4'-P-C4' energy: -42.291 flat angles P-C4'-P energy: -27.632 tors. eta vs tors. theta energy: -8.919 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: 3 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -1131.345441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.345441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.345441 (E_RNA) where: Base-Base interactions energy: -777.667 where: short stacking energy: -322.734 Base-Backbone interact. energy: -1.123 local terms energy: -352.555573 where: bonds (distance) C4'-P energy: -68.776 bonds (distance) P-C4' energy: -63.805 flat angles C4'-P-C4' energy: -73.314 flat angles P-C4'-P energy: -43.506 tors. eta vs tors. theta energy: -103.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -1044.894693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.894693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.894693 (E_RNA) where: Base-Base interactions energy: -723.049 where: short stacking energy: -309.848 Base-Backbone interact. energy: -2.971 local terms energy: -318.875415 where: bonds (distance) C4'-P energy: -53.601 bonds (distance) P-C4' energy: -66.048 flat angles C4'-P-C4' energy: -65.916 flat angles P-C4'-P energy: -43.174 tors. eta vs tors. theta energy: -90.136 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: 1 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -1027.602770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.602770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.602770 (E_RNA) where: Base-Base interactions energy: -700.965 where: short stacking energy: -296.617 Base-Backbone interact. energy: -2.552 local terms energy: -324.085649 where: bonds (distance) C4'-P energy: -57.761 bonds (distance) P-C4' energy: -62.485 flat angles C4'-P-C4' energy: -60.007 flat angles P-C4'-P energy: -47.758 tors. eta vs tors. theta energy: -96.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -989.457078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.457078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.457078 (E_RNA) where: Base-Base interactions energy: -693.605 where: short stacking energy: -310.606 Base-Backbone interact. energy: 0.393 local terms energy: -296.245813 where: bonds (distance) C4'-P energy: -51.340 bonds (distance) P-C4' energy: -45.887 flat angles C4'-P-C4' energy: -65.140 flat angles P-C4'-P energy: -42.368 tors. eta vs tors. theta energy: -91.510 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: 7 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -888.501287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.501287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.501287 (E_RNA) where: Base-Base interactions energy: -579.948 where: short stacking energy: -250.012 Base-Backbone interact. energy: -1.351 local terms energy: -307.202055 where: bonds (distance) C4'-P energy: -63.282 bonds (distance) P-C4' energy: -61.919 flat angles C4'-P-C4' energy: -68.245 flat angles P-C4'-P energy: -38.620 tors. eta vs tors. theta energy: -75.136 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: 2 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -852.297940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.297940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.297940 (E_RNA) where: Base-Base interactions energy: -562.102 where: short stacking energy: -281.140 Base-Backbone interact. energy: -0.999 local terms energy: -289.196574 where: bonds (distance) C4'-P energy: -53.364 bonds (distance) P-C4' energy: -57.999 flat angles C4'-P-C4' energy: -55.929 flat angles P-C4'-P energy: -44.764 tors. eta vs tors. theta energy: -77.140 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: 7, replica: 6 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -642.192443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.192443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.192443 (E_RNA) where: Base-Base interactions energy: -385.949 where: short stacking energy: -186.119 Base-Backbone interact. energy: -0.220 local terms energy: -256.023119 where: bonds (distance) C4'-P energy: -53.102 bonds (distance) P-C4' energy: -63.893 flat angles C4'-P-C4' energy: -68.855 flat angles P-C4'-P energy: -32.943 tors. eta vs tors. theta energy: -37.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -675.377193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.377193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.377193 (E_RNA) where: Base-Base interactions energy: -429.686 where: short stacking energy: -195.192 Base-Backbone interact. energy: -0.544 local terms energy: -245.147593 where: bonds (distance) C4'-P energy: -48.235 bonds (distance) P-C4' energy: -56.719 flat angles C4'-P-C4' energy: -60.436 flat angles P-C4'-P energy: -30.815 tors. eta vs tors. theta energy: -48.943 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: 207 Temperature: 1.300000 Total energy: -527.392146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.392146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.392146 (E_RNA) where: Base-Base interactions energy: -306.059 where: short stacking energy: -143.174 Base-Backbone interact. energy: -1.603 local terms energy: -219.730300 where: bonds (distance) C4'-P energy: -67.097 bonds (distance) P-C4' energy: -53.285 flat angles C4'-P-C4' energy: -54.428 flat angles P-C4'-P energy: -29.468 tors. eta vs tors. theta energy: -15.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -260.889692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.889692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.889692 (E_RNA) where: Base-Base interactions energy: -80.541 where: short stacking energy: -69.746 Base-Backbone interact. energy: -0.490 local terms energy: -179.858458 where: bonds (distance) C4'-P energy: -58.814 bonds (distance) P-C4' energy: -61.086 flat angles C4'-P-C4' energy: -37.653 flat angles P-C4'-P energy: -30.610 tors. eta vs tors. theta energy: 8.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -1118.132341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.132341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.132341 (E_RNA) where: Base-Base interactions energy: -767.439 where: short stacking energy: -322.030 Base-Backbone interact. energy: -1.082 local terms energy: -349.611332 where: bonds (distance) C4'-P energy: -67.175 bonds (distance) P-C4' energy: -62.541 flat angles C4'-P-C4' energy: -71.757 flat angles P-C4'-P energy: -49.723 tors. eta vs tors. theta energy: -98.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -1054.808798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.808798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.808798 (E_RNA) where: Base-Base interactions energy: -728.869 where: short stacking energy: -327.974 Base-Backbone interact. energy: -0.604 local terms energy: -325.335863 where: bonds (distance) C4'-P energy: -55.537 bonds (distance) P-C4' energy: -57.207 flat angles C4'-P-C4' energy: -68.402 flat angles P-C4'-P energy: -58.742 tors. eta vs tors. theta energy: -85.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -1012.998572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.998572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.998572 (E_RNA) where: Base-Base interactions energy: -697.562 where: short stacking energy: -287.140 Base-Backbone interact. energy: 1.667 local terms energy: -317.103796 where: bonds (distance) C4'-P energy: -64.081 bonds (distance) P-C4' energy: -54.971 flat angles C4'-P-C4' energy: -66.007 flat angles P-C4'-P energy: -51.210 tors. eta vs tors. theta energy: -80.835 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: 1 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -1015.536329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.536329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.536329 (E_RNA) where: Base-Base interactions energy: -684.526 where: short stacking energy: -301.993 Base-Backbone interact. energy: -1.483 local terms energy: -329.527221 where: bonds (distance) C4'-P energy: -58.371 bonds (distance) P-C4' energy: -61.993 flat angles C4'-P-C4' energy: -69.323 flat angles P-C4'-P energy: -47.638 tors. eta vs tors. theta energy: -92.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -952.510967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.510967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.510967 (E_RNA) where: Base-Base interactions energy: -659.803 where: short stacking energy: -280.947 Base-Backbone interact. energy: 1.509 local terms energy: -294.216886 where: bonds (distance) C4'-P energy: -55.313 bonds (distance) P-C4' energy: -59.082 flat angles C4'-P-C4' energy: -60.442 flat angles P-C4'-P energy: -28.207 tors. eta vs tors. theta energy: -91.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -902.042788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.042788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.042788 (E_RNA) where: Base-Base interactions energy: -626.132 where: short stacking energy: -274.353 Base-Backbone interact. energy: -1.030 local terms energy: -274.881248 where: bonds (distance) C4'-P energy: -40.705 bonds (distance) P-C4' energy: -56.045 flat angles C4'-P-C4' energy: -64.276 flat angles P-C4'-P energy: -46.330 tors. eta vs tors. theta energy: -67.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -715.323944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.323944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.323944 (E_RNA) where: Base-Base interactions energy: -438.074 where: short stacking energy: -209.470 Base-Backbone interact. energy: -0.284 local terms energy: -276.966483 where: bonds (distance) C4'-P energy: -62.960 bonds (distance) P-C4' energy: -68.123 flat angles C4'-P-C4' energy: -59.520 flat angles P-C4'-P energy: -45.294 tors. eta vs tors. theta energy: -41.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -636.672192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.672192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.672192 (E_RNA) where: Base-Base interactions energy: -410.963 where: short stacking energy: -182.375 Base-Backbone interact. energy: -1.460 local terms energy: -224.249065 where: bonds (distance) C4'-P energy: -54.264 bonds (distance) P-C4' energy: -47.363 flat angles C4'-P-C4' energy: -50.687 flat angles P-C4'-P energy: -41.663 tors. eta vs tors. theta energy: -30.272 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: 10 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -571.583102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.583102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.583102 (E_RNA) where: Base-Base interactions energy: -371.055 where: short stacking energy: -187.492 Base-Backbone interact. energy: -1.463 local terms energy: -199.065310 where: bonds (distance) C4'-P energy: -47.877 bonds (distance) P-C4' energy: -36.085 flat angles C4'-P-C4' energy: -43.580 flat angles P-C4'-P energy: -36.898 tors. eta vs tors. theta energy: -34.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -298.329923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.329923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.329923 (E_RNA) where: Base-Base interactions energy: -129.247 where: short stacking energy: -112.751 Base-Backbone interact. energy: 2.440 local terms energy: -171.523234 where: bonds (distance) C4'-P energy: -44.313 bonds (distance) P-C4' energy: -52.041 flat angles C4'-P-C4' energy: -31.715 flat angles P-C4'-P energy: -32.102 tors. eta vs tors. theta energy: -11.352 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: 209 Temperature: 0.900000 Total energy: -1124.181495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.181495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.181495 (E_RNA) where: Base-Base interactions energy: -763.582 where: short stacking energy: -323.121 Base-Backbone interact. energy: -0.612 local terms energy: -359.987322 where: bonds (distance) C4'-P energy: -63.051 bonds (distance) P-C4' energy: -70.668 flat angles C4'-P-C4' energy: -73.225 flat angles P-C4'-P energy: -50.127 tors. eta vs tors. theta energy: -102.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -1042.378892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.378892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.378892 (E_RNA) where: Base-Base interactions energy: -703.909 where: short stacking energy: -311.346 Base-Backbone interact. energy: -0.659 local terms energy: -337.811044 where: bonds (distance) C4'-P energy: -59.795 bonds (distance) P-C4' energy: -58.452 flat angles C4'-P-C4' energy: -75.619 flat angles P-C4'-P energy: -53.434 tors. eta vs tors. theta energy: -90.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -1056.594557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.594557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.594557 (E_RNA) where: Base-Base interactions energy: -756.557 where: short stacking energy: -301.049 Base-Backbone interact. energy: -3.282 local terms energy: -296.754878 where: bonds (distance) C4'-P energy: -54.132 bonds (distance) P-C4' energy: -52.053 flat angles C4'-P-C4' energy: -61.406 flat angles P-C4'-P energy: -43.973 tors. eta vs tors. theta energy: -85.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -1033.205385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.205385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.205385 (E_RNA) where: Base-Base interactions energy: -713.078 where: short stacking energy: -300.268 Base-Backbone interact. energy: -0.744 local terms energy: -319.383976 where: bonds (distance) C4'-P energy: -48.469 bonds (distance) P-C4' energy: -63.064 flat angles C4'-P-C4' energy: -68.668 flat angles P-C4'-P energy: -44.630 tors. eta vs tors. theta energy: -94.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -941.825012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.825012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.825012 (E_RNA) where: Base-Base interactions energy: -643.715 where: short stacking energy: -264.345 Base-Backbone interact. energy: -1.179 local terms energy: -296.931226 where: bonds (distance) C4'-P energy: -61.151 bonds (distance) P-C4' energy: -57.480 flat angles C4'-P-C4' energy: -53.190 flat angles P-C4'-P energy: -48.685 tors. eta vs tors. theta energy: -76.425 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: 209 Temperature: 1.150000 Total energy: -897.435628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.435628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.435628 (E_RNA) where: Base-Base interactions energy: -610.148 where: short stacking energy: -259.003 Base-Backbone interact. energy: -1.398 local terms energy: -285.889723 where: bonds (distance) C4'-P energy: -40.025 bonds (distance) P-C4' energy: -57.534 flat angles C4'-P-C4' energy: -69.853 flat angles P-C4'-P energy: -44.993 tors. eta vs tors. theta energy: -73.485 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: 8 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -722.680023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.680023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.680023 (E_RNA) where: Base-Base interactions energy: -447.862 where: short stacking energy: -205.247 Base-Backbone interact. energy: 0.909 local terms energy: -275.726523 where: bonds (distance) C4'-P energy: -60.455 bonds (distance) P-C4' energy: -59.783 flat angles C4'-P-C4' energy: -55.383 flat angles P-C4'-P energy: -39.535 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: 8, replica: 10 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -662.989023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.989023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.989023 (E_RNA) where: Base-Base interactions energy: -418.152 where: short stacking energy: -212.030 Base-Backbone interact. energy: -0.567 local terms energy: -244.270366 where: bonds (distance) C4'-P energy: -61.002 bonds (distance) P-C4' energy: -50.250 flat angles C4'-P-C4' energy: -52.205 flat angles P-C4'-P energy: -26.419 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: 6 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -597.535563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.535563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.535563 (E_RNA) where: Base-Base interactions energy: -380.551 where: short stacking energy: -173.130 Base-Backbone interact. energy: -0.044 local terms energy: -216.940517 where: bonds (distance) C4'-P energy: -56.939 bonds (distance) P-C4' energy: -49.636 flat angles C4'-P-C4' energy: -45.144 flat angles P-C4'-P energy: -43.142 tors. eta vs tors. theta energy: -22.079 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: 4 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -268.700482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.700482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.700482 (E_RNA) where: Base-Base interactions energy: -103.244 where: short stacking energy: -68.925 Base-Backbone interact. energy: 0.736 local terms energy: -166.192018 where: bonds (distance) C4'-P energy: -59.656 bonds (distance) P-C4' energy: -48.277 flat angles C4'-P-C4' energy: -45.855 flat angles P-C4'-P energy: -17.723 tors. eta vs tors. theta energy: 5.318 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: 1, replica: 3 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -1135.428647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.428647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.428647 (E_RNA) where: Base-Base interactions energy: -797.493 where: short stacking energy: -337.794 Base-Backbone interact. energy: -2.420 local terms energy: -335.516076 where: bonds (distance) C4'-P energy: -55.586 bonds (distance) P-C4' energy: -66.719 flat angles C4'-P-C4' energy: -71.293 flat angles P-C4'-P energy: -39.047 tors. eta vs tors. theta energy: -102.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -1056.409454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.409454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.409454 (E_RNA) where: Base-Base interactions energy: -716.919 where: short stacking energy: -318.132 Base-Backbone interact. energy: -1.158 local terms energy: -338.332409 where: bonds (distance) C4'-P energy: -63.218 bonds (distance) P-C4' energy: -65.364 flat angles C4'-P-C4' energy: -67.619 flat angles P-C4'-P energy: -51.341 tors. eta vs tors. theta energy: -90.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -1065.075471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.075471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.075471 (E_RNA) where: Base-Base interactions energy: -729.874 where: short stacking energy: -326.401 Base-Backbone interact. energy: -0.509 local terms energy: -334.693263 where: bonds (distance) C4'-P energy: -55.515 bonds (distance) P-C4' energy: -56.493 flat angles C4'-P-C4' energy: -66.828 flat angles P-C4'-P energy: -56.951 tors. eta vs tors. theta energy: -98.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -1009.572934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.572934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.572934 (E_RNA) where: Base-Base interactions energy: -699.190 where: short stacking energy: -304.001 Base-Backbone interact. energy: -1.244 local terms energy: -309.138692 where: bonds (distance) C4'-P energy: -61.996 bonds (distance) P-C4' energy: -61.794 flat angles C4'-P-C4' energy: -71.589 flat angles P-C4'-P energy: -39.136 tors. eta vs tors. theta energy: -74.624 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: 7 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -936.414674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.414674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.414674 (E_RNA) where: Base-Base interactions energy: -621.403 where: short stacking energy: -265.669 Base-Backbone interact. energy: -3.090 local terms energy: -311.921134 where: bonds (distance) C4'-P energy: -50.393 bonds (distance) P-C4' energy: -63.370 flat angles C4'-P-C4' energy: -69.211 flat angles P-C4'-P energy: -49.767 tors. eta vs tors. theta energy: -79.179 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: 6, replica: 1 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -931.988199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.988199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.988199 (E_RNA) where: Base-Base interactions energy: -633.381 where: short stacking energy: -273.864 Base-Backbone interact. energy: -0.218 local terms energy: -298.389774 where: bonds (distance) C4'-P energy: -62.460 bonds (distance) P-C4' energy: -50.574 flat angles C4'-P-C4' energy: -63.666 flat angles P-C4'-P energy: -43.365 tors. eta vs tors. theta energy: -78.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -637.618245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.618245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.618245 (E_RNA) where: Base-Base interactions energy: -388.750 where: short stacking energy: -189.544 Base-Backbone interact. energy: 2.675 local terms energy: -251.542468 where: bonds (distance) C4'-P energy: -50.414 bonds (distance) P-C4' energy: -62.667 flat angles C4'-P-C4' energy: -54.266 flat angles P-C4'-P energy: -43.712 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: 8, replica: 8 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -695.100110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.100110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.100110 (E_RNA) where: Base-Base interactions energy: -450.846 where: short stacking energy: -206.989 Base-Backbone interact. energy: 0.203 local terms energy: -244.457382 where: bonds (distance) C4'-P energy: -46.141 bonds (distance) P-C4' energy: -49.204 flat angles C4'-P-C4' energy: -59.000 flat angles P-C4'-P energy: -41.451 tors. eta vs tors. theta energy: -48.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -611.803042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.803042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.803042 (E_RNA) where: Base-Base interactions energy: -370.176 where: short stacking energy: -172.424 Base-Backbone interact. energy: 1.688 local terms energy: -243.314345 where: bonds (distance) C4'-P energy: -68.394 bonds (distance) P-C4' energy: -57.926 flat angles C4'-P-C4' energy: -51.681 flat angles P-C4'-P energy: -30.299 tors. eta vs tors. theta energy: -35.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -295.220560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.220560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.220560 (E_RNA) where: Base-Base interactions energy: -137.368 where: short stacking energy: -87.498 Base-Backbone interact. energy: 0.922 local terms energy: -158.774639 where: bonds (distance) C4'-P energy: -45.010 bonds (distance) P-C4' energy: -53.257 flat angles C4'-P-C4' energy: -55.896 flat angles P-C4'-P energy: -14.057 tors. eta vs tors. theta energy: 9.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -1143.385444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.385444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.385444 (E_RNA) where: Base-Base interactions energy: -796.066 where: short stacking energy: -353.969 Base-Backbone interact. energy: -0.667 local terms energy: -346.652145 where: bonds (distance) C4'-P energy: -66.046 bonds (distance) P-C4' energy: -51.116 flat angles C4'-P-C4' energy: -73.412 flat angles P-C4'-P energy: -49.828 tors. eta vs tors. theta energy: -106.250 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: 2, replica: 2 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -1071.273862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.273862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.273862 (E_RNA) where: Base-Base interactions energy: -735.565 where: short stacking energy: -321.490 Base-Backbone interact. energy: -1.786 local terms energy: -333.923229 where: bonds (distance) C4'-P energy: -57.112 bonds (distance) P-C4' energy: -51.068 flat angles C4'-P-C4' energy: -73.293 flat angles P-C4'-P energy: -52.565 tors. eta vs tors. theta energy: -99.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -1023.922275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.922275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.922275 (E_RNA) where: Base-Base interactions energy: -712.631 where: short stacking energy: -309.389 Base-Backbone interact. energy: -0.205 local terms energy: -311.086671 where: bonds (distance) C4'-P energy: -52.486 bonds (distance) P-C4' energy: -57.078 flat angles C4'-P-C4' energy: -70.231 flat angles P-C4'-P energy: -40.845 tors. eta vs tors. theta energy: -90.446 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: 4, replica: 7 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -922.521258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.521258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.521258 (E_RNA) where: Base-Base interactions energy: -622.025 where: short stacking energy: -268.568 Base-Backbone interact. energy: 0.227 local terms energy: -300.723491 where: bonds (distance) C4'-P energy: -66.035 bonds (distance) P-C4' energy: -58.269 flat angles C4'-P-C4' energy: -58.849 flat angles P-C4'-P energy: -38.630 tors. eta vs tors. theta energy: -78.941 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: 9 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -962.623329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.623329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.623329 (E_RNA) where: Base-Base interactions energy: -664.378 where: short stacking energy: -259.756 Base-Backbone interact. energy: 0.566 local terms energy: -298.811838 where: bonds (distance) C4'-P energy: -59.156 bonds (distance) P-C4' energy: -54.973 flat angles C4'-P-C4' energy: -65.810 flat angles P-C4'-P energy: -42.810 tors. eta vs tors. theta energy: -76.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -919.520782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.520782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.520782 (E_RNA) where: Base-Base interactions energy: -608.962 where: short stacking energy: -283.882 Base-Backbone interact. energy: -1.400 local terms energy: -309.159233 where: bonds (distance) C4'-P energy: -53.321 bonds (distance) P-C4' energy: -62.534 flat angles C4'-P-C4' energy: -62.194 flat angles P-C4'-P energy: -47.621 tors. eta vs tors. theta energy: -83.490 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: 10 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -623.330107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.330107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.330107 (E_RNA) where: Base-Base interactions energy: -389.686 where: short stacking energy: -194.029 Base-Backbone interact. energy: 1.453 local terms energy: -235.097457 where: bonds (distance) C4'-P energy: -50.291 bonds (distance) P-C4' energy: -45.313 flat angles C4'-P-C4' energy: -57.759 flat angles P-C4'-P energy: -41.776 tors. eta vs tors. theta energy: -39.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -757.737069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.737069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.737069 (E_RNA) where: Base-Base interactions energy: -490.316 where: short stacking energy: -250.578 Base-Backbone interact. energy: -0.762 local terms energy: -266.659538 where: bonds (distance) C4'-P energy: -56.032 bonds (distance) P-C4' energy: -56.927 flat angles C4'-P-C4' energy: -57.727 flat angles P-C4'-P energy: -35.480 tors. eta vs tors. theta energy: -60.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -616.949290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.949290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.949290 (E_RNA) where: Base-Base interactions energy: -395.704 where: short stacking energy: -191.074 Base-Backbone interact. energy: 1.595 local terms energy: -222.840182 where: bonds (distance) C4'-P energy: -51.781 bonds (distance) P-C4' energy: -62.202 flat angles C4'-P-C4' energy: -52.189 flat angles P-C4'-P energy: -32.014 tors. eta vs tors. theta energy: -24.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -256.063737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.063737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.063737 (E_RNA) where: Base-Base interactions energy: -78.036 where: short stacking energy: -58.033 Base-Backbone interact. energy: -0.052 local terms energy: -177.976079 where: bonds (distance) C4'-P energy: -57.940 bonds (distance) P-C4' energy: -50.984 flat angles C4'-P-C4' energy: -54.899 flat angles P-C4'-P energy: -24.712 tors. eta vs tors. theta energy: 10.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -1128.904975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.904975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.904975 (E_RNA) where: Base-Base interactions energy: -780.957 where: short stacking energy: -344.326 Base-Backbone interact. energy: -0.907 local terms energy: -347.041044 where: bonds (distance) C4'-P energy: -51.558 bonds (distance) P-C4' energy: -68.442 flat angles C4'-P-C4' energy: -71.934 flat angles P-C4'-P energy: -49.399 tors. eta vs tors. theta energy: -105.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -1090.731520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.731520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.731520 (E_RNA) where: Base-Base interactions energy: -737.930 where: short stacking energy: -321.256 Base-Backbone interact. energy: -0.415 local terms energy: -352.386663 where: bonds (distance) C4'-P energy: -64.214 bonds (distance) P-C4' energy: -64.428 flat angles C4'-P-C4' energy: -67.615 flat angles P-C4'-P energy: -53.980 tors. eta vs tors. theta energy: -102.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -1034.105392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.105392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.105392 (E_RNA) where: Base-Base interactions energy: -709.570 where: short stacking energy: -306.065 Base-Backbone interact. energy: -1.480 local terms energy: -323.055225 where: bonds (distance) C4'-P energy: -55.502 bonds (distance) P-C4' energy: -55.322 flat angles C4'-P-C4' energy: -71.352 flat angles P-C4'-P energy: -52.523 tors. eta vs tors. theta energy: -88.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -946.331383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.331383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.331383 (E_RNA) where: Base-Base interactions energy: -646.886 where: short stacking energy: -303.378 Base-Backbone interact. energy: -0.781 local terms energy: -298.664425 where: bonds (distance) C4'-P energy: -55.624 bonds (distance) P-C4' energy: -66.421 flat angles C4'-P-C4' energy: -61.938 flat angles P-C4'-P energy: -36.294 tors. eta vs tors. theta energy: -78.388 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: 1 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -950.850747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.850747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.850747 (E_RNA) where: Base-Base interactions energy: -658.432 where: short stacking energy: -279.655 Base-Backbone interact. energy: -1.688 local terms energy: -290.731300 where: bonds (distance) C4'-P energy: -54.312 bonds (distance) P-C4' energy: -51.398 flat angles C4'-P-C4' energy: -58.771 flat angles P-C4'-P energy: -46.140 tors. eta vs tors. theta energy: -80.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -932.916793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.916793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.916793 (E_RNA) where: Base-Base interactions energy: -646.605 where: short stacking energy: -271.393 Base-Backbone interact. energy: -3.022 local terms energy: -283.289335 where: bonds (distance) C4'-P energy: -40.882 bonds (distance) P-C4' energy: -60.083 flat angles C4'-P-C4' energy: -59.386 flat angles P-C4'-P energy: -40.256 tors. eta vs tors. theta energy: -82.683 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: 8 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -734.662765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.662765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.662765 (E_RNA) where: Base-Base interactions energy: -479.553 where: short stacking energy: -215.186 Base-Backbone interact. energy: 0.389 local terms energy: -255.498755 where: bonds (distance) C4'-P energy: -53.449 bonds (distance) P-C4' energy: -48.215 flat angles C4'-P-C4' energy: -58.252 flat angles P-C4'-P energy: -46.547 tors. eta vs tors. theta energy: -49.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -620.887897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.887897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.887897 (E_RNA) where: Base-Base interactions energy: -365.424 where: short stacking energy: -182.938 Base-Backbone interact. energy: 3.010 local terms energy: -258.473883 where: bonds (distance) C4'-P energy: -54.840 bonds (distance) P-C4' energy: -60.272 flat angles C4'-P-C4' energy: -62.285 flat angles P-C4'-P energy: -39.674 tors. eta vs tors. theta energy: -41.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -581.608415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.608415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.608415 (E_RNA) where: Base-Base interactions energy: -343.116 where: short stacking energy: -160.361 Base-Backbone interact. energy: 1.449 local terms energy: -239.941941 where: bonds (distance) C4'-P energy: -49.121 bonds (distance) P-C4' energy: -52.337 flat angles C4'-P-C4' energy: -52.543 flat angles P-C4'-P energy: -44.765 tors. eta vs tors. theta energy: -41.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -259.617068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.617068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.617068 (E_RNA) where: Base-Base interactions energy: -83.418 where: short stacking energy: -61.730 Base-Backbone interact. energy: 0.626 local terms energy: -176.825537 where: bonds (distance) C4'-P energy: -61.193 bonds (distance) P-C4' energy: -57.451 flat angles C4'-P-C4' energy: -31.071 flat angles P-C4'-P energy: -32.190 tors. eta vs tors. theta energy: 5.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -1128.070221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.070221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.070221 (E_RNA) where: Base-Base interactions energy: -778.581 where: short stacking energy: -334.389 Base-Backbone interact. energy: -0.486 local terms energy: -349.003016 where: bonds (distance) C4'-P energy: -61.131 bonds (distance) P-C4' energy: -65.912 flat angles C4'-P-C4' energy: -72.927 flat angles P-C4'-P energy: -45.174 tors. eta vs tors. theta energy: -103.859 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: 2 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -1081.701635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.701635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.701635 (E_RNA) where: Base-Base interactions energy: -731.989 where: short stacking energy: -316.399 Base-Backbone interact. energy: -0.343 local terms energy: -349.370525 where: bonds (distance) C4'-P energy: -58.792 bonds (distance) P-C4' energy: -62.861 flat angles C4'-P-C4' energy: -73.581 flat angles P-C4'-P energy: -53.734 tors. eta vs tors. theta energy: -100.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -1049.945738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.945738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.945738 (E_RNA) where: Base-Base interactions energy: -710.189 where: short stacking energy: -306.659 Base-Backbone interact. energy: 0.432 local terms energy: -340.188346 where: bonds (distance) C4'-P energy: -59.948 bonds (distance) P-C4' energy: -68.269 flat angles C4'-P-C4' energy: -71.867 flat angles P-C4'-P energy: -57.315 tors. eta vs tors. theta energy: -82.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -1016.160410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.160410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.160410 (E_RNA) where: Base-Base interactions energy: -687.596 where: short stacking energy: -310.029 Base-Backbone interact. energy: -1.792 local terms energy: -326.772265 where: bonds (distance) C4'-P energy: -56.958 bonds (distance) P-C4' energy: -63.855 flat angles C4'-P-C4' energy: -65.102 flat angles P-C4'-P energy: -51.282 tors. eta vs tors. theta energy: -89.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -910.651020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.651020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.651020 (E_RNA) where: Base-Base interactions energy: -606.584 where: short stacking energy: -262.108 Base-Backbone interact. energy: -1.255 local terms energy: -302.811801 where: bonds (distance) C4'-P energy: -61.801 bonds (distance) P-C4' energy: -58.233 flat angles C4'-P-C4' energy: -62.198 flat angles P-C4'-P energy: -49.232 tors. eta vs tors. theta energy: -71.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -964.845921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.845921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.845921 (E_RNA) where: Base-Base interactions energy: -662.027 where: short stacking energy: -286.416 Base-Backbone interact. energy: -0.726 local terms energy: -302.092674 where: bonds (distance) C4'-P energy: -64.123 bonds (distance) P-C4' energy: -51.954 flat angles C4'-P-C4' energy: -63.311 flat angles P-C4'-P energy: -44.454 tors. eta vs tors. theta energy: -78.252 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: 8 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -736.751962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.751962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.751962 (E_RNA) where: Base-Base interactions energy: -459.825 where: short stacking energy: -219.226 Base-Backbone interact. energy: -0.926 local terms energy: -276.000883 where: bonds (distance) C4'-P energy: -64.415 bonds (distance) P-C4' energy: -63.365 flat angles C4'-P-C4' energy: -62.466 flat angles P-C4'-P energy: -38.724 tors. eta vs tors. theta energy: -47.031 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: 10 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -594.302083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.302083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.302083 (E_RNA) where: Base-Base interactions energy: -332.504 where: short stacking energy: -168.010 Base-Backbone interact. energy: 4.124 local terms energy: -265.921778 where: bonds (distance) C4'-P energy: -64.820 bonds (distance) P-C4' energy: -59.704 flat angles C4'-P-C4' energy: -66.480 flat angles P-C4'-P energy: -39.916 tors. eta vs tors. theta energy: -35.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -588.091090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.091090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.091090 (E_RNA) where: Base-Base interactions energy: -362.823 where: short stacking energy: -170.938 Base-Backbone interact. energy: -2.022 local terms energy: -223.246243 where: bonds (distance) C4'-P energy: -42.918 bonds (distance) P-C4' energy: -55.935 flat angles C4'-P-C4' energy: -65.250 flat angles P-C4'-P energy: -24.880 tors. eta vs tors. theta energy: -34.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -274.955376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.955376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.955376 (E_RNA) where: Base-Base interactions energy: -105.692 where: short stacking energy: -81.499 Base-Backbone interact. energy: 3.662 local terms energy: -172.925899 where: bonds (distance) C4'-P energy: -58.429 bonds (distance) P-C4' energy: -62.587 flat angles C4'-P-C4' energy: -33.176 flat angles P-C4'-P energy: -21.289 tors. eta vs tors. theta energy: 2.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -1112.632504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.632504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.632504 (E_RNA) where: Base-Base interactions energy: -758.248 where: short stacking energy: -345.111 Base-Backbone interact. energy: -3.049 local terms energy: -351.335655 where: bonds (distance) C4'-P energy: -61.128 bonds (distance) P-C4' energy: -67.939 flat angles C4'-P-C4' energy: -79.185 flat angles P-C4'-P energy: -39.331 tors. eta vs tors. theta energy: -103.752 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: 2 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -1088.236501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.236501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.236501 (E_RNA) where: Base-Base interactions energy: -749.844 where: short stacking energy: -340.105 Base-Backbone interact. energy: -1.528 local terms energy: -336.864896 where: bonds (distance) C4'-P energy: -54.050 bonds (distance) P-C4' energy: -59.589 flat angles C4'-P-C4' energy: -74.716 flat angles P-C4'-P energy: -45.102 tors. eta vs tors. theta energy: -103.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -1041.499470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.499470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.499470 (E_RNA) where: Base-Base interactions energy: -716.472 where: short stacking energy: -309.785 Base-Backbone interact. energy: -0.910 local terms energy: -324.117695 where: bonds (distance) C4'-P energy: -58.597 bonds (distance) P-C4' energy: -57.959 flat angles C4'-P-C4' energy: -72.922 flat angles P-C4'-P energy: -47.955 tors. eta vs tors. theta energy: -86.683 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: 1 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -1023.010948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.010948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.010948 (E_RNA) where: Base-Base interactions energy: -693.480 where: short stacking energy: -301.359 Base-Backbone interact. energy: -2.130 local terms energy: -327.400840 where: bonds (distance) C4'-P energy: -61.582 bonds (distance) P-C4' energy: -51.543 flat angles C4'-P-C4' energy: -73.370 flat angles P-C4'-P energy: -48.355 tors. eta vs tors. theta energy: -92.551 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: 5, replica: 7 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -898.827274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.827274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.827274 (E_RNA) where: Base-Base interactions energy: -626.903 where: short stacking energy: -273.450 Base-Backbone interact. energy: -1.388 local terms energy: -270.535900 where: bonds (distance) C4'-P energy: -48.289 bonds (distance) P-C4' energy: -48.543 flat angles C4'-P-C4' energy: -58.115 flat angles P-C4'-P energy: -37.507 tors. eta vs tors. theta energy: -78.082 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: 214 Temperature: 1.150000 Total energy: -867.489107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.489107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.489107 (E_RNA) where: Base-Base interactions energy: -576.777 where: short stacking energy: -261.811 Base-Backbone interact. energy: -0.729 local terms energy: -289.983008 where: bonds (distance) C4'-P energy: -40.665 bonds (distance) P-C4' energy: -62.989 flat angles C4'-P-C4' energy: -67.678 flat angles P-C4'-P energy: -44.089 tors. eta vs tors. theta energy: -74.563 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: 7, replica: 8 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -735.710080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.710080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.710080 (E_RNA) where: Base-Base interactions energy: -469.075 where: short stacking energy: -213.273 Base-Backbone interact. energy: -1.168 local terms energy: -265.467009 where: bonds (distance) C4'-P energy: -57.060 bonds (distance) P-C4' energy: -60.466 flat angles C4'-P-C4' energy: -61.165 flat angles P-C4'-P energy: -36.637 tors. eta vs tors. theta energy: -50.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -603.594232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.594232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.594232 (E_RNA) where: Base-Base interactions energy: -372.243 where: short stacking energy: -170.338 Base-Backbone interact. energy: 0.511 local terms energy: -231.862397 where: bonds (distance) C4'-P energy: -53.289 bonds (distance) P-C4' energy: -60.393 flat angles C4'-P-C4' energy: -62.711 flat angles P-C4'-P energy: -18.877 tors. eta vs tors. theta energy: -36.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -578.105884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.105884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.105884 (E_RNA) where: Base-Base interactions energy: -373.182 where: short stacking energy: -179.806 Base-Backbone interact. energy: 0.141 local terms energy: -205.064684 where: bonds (distance) C4'-P energy: -48.996 bonds (distance) P-C4' energy: -60.187 flat angles C4'-P-C4' energy: -50.250 flat angles P-C4'-P energy: -22.174 tors. eta vs tors. theta energy: -23.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -282.229720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.229720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.229720 (E_RNA) where: Base-Base interactions energy: -105.838 where: short stacking energy: -84.871 Base-Backbone interact. energy: 0.359 local terms energy: -176.751356 where: bonds (distance) C4'-P energy: -36.776 bonds (distance) P-C4' energy: -59.175 flat angles C4'-P-C4' energy: -45.497 flat angles P-C4'-P energy: -39.428 tors. eta vs tors. theta energy: 4.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -1129.168259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.168259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.168259 (E_RNA) where: Base-Base interactions energy: -775.095 where: short stacking energy: -335.160 Base-Backbone interact. energy: -2.512 local terms energy: -351.561708 where: bonds (distance) C4'-P energy: -61.676 bonds (distance) P-C4' energy: -66.679 flat angles C4'-P-C4' energy: -75.780 flat angles P-C4'-P energy: -40.879 tors. eta vs tors. theta energy: -106.548 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: 2 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -1098.858437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.858437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.858437 (E_RNA) where: Base-Base interactions energy: -748.026 where: short stacking energy: -333.650 Base-Backbone interact. energy: -0.855 local terms energy: -349.977820 where: bonds (distance) C4'-P energy: -64.217 bonds (distance) P-C4' energy: -61.318 flat angles C4'-P-C4' energy: -70.920 flat angles P-C4'-P energy: -49.286 tors. eta vs tors. theta energy: -104.237 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: 3, replica: 5 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -1016.494551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.494551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.494551 (E_RNA) where: Base-Base interactions energy: -703.438 where: short stacking energy: -305.909 Base-Backbone interact. energy: 1.430 local terms energy: -314.487475 where: bonds (distance) C4'-P energy: -59.988 bonds (distance) P-C4' energy: -64.563 flat angles C4'-P-C4' energy: -71.300 flat angles P-C4'-P energy: -33.698 tors. eta vs tors. theta energy: -84.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -1004.664067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.664067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.664067 (E_RNA) where: Base-Base interactions energy: -699.393 where: short stacking energy: -304.088 Base-Backbone interact. energy: -1.354 local terms energy: -303.917615 where: bonds (distance) C4'-P energy: -52.601 bonds (distance) P-C4' energy: -53.037 flat angles C4'-P-C4' energy: -63.081 flat angles P-C4'-P energy: -46.720 tors. eta vs tors. theta energy: -88.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -939.365912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.365912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.365912 (E_RNA) where: Base-Base interactions energy: -656.475 where: short stacking energy: -279.169 Base-Backbone interact. energy: 4.696 local terms energy: -287.586760 where: bonds (distance) C4'-P energy: -55.773 bonds (distance) P-C4' energy: -52.012 flat angles C4'-P-C4' energy: -66.395 flat angles P-C4'-P energy: -44.858 tors. eta vs tors. theta energy: -68.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -846.880727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.880727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.880727 (E_RNA) where: Base-Base interactions energy: -585.639 where: short stacking energy: -258.129 Base-Backbone interact. energy: -0.945 local terms energy: -260.297556 where: bonds (distance) C4'-P energy: -54.533 bonds (distance) P-C4' energy: -47.790 flat angles C4'-P-C4' energy: -52.409 flat angles P-C4'-P energy: -34.761 tors. eta vs tors. theta energy: -70.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -733.864155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.864155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.864155 (E_RNA) where: Base-Base interactions energy: -476.513 where: short stacking energy: -223.952 Base-Backbone interact. energy: 0.343 local terms energy: -257.693508 where: bonds (distance) C4'-P energy: -58.651 bonds (distance) P-C4' energy: -52.035 flat angles C4'-P-C4' energy: -59.529 flat angles P-C4'-P energy: -38.860 tors. eta vs tors. theta energy: -48.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -619.854925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.854925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.854925 (E_RNA) where: Base-Base interactions energy: -400.757 where: short stacking energy: -177.411 Base-Backbone interact. energy: -0.716 local terms energy: -218.381942 where: bonds (distance) C4'-P energy: -49.614 bonds (distance) P-C4' energy: -40.381 flat angles C4'-P-C4' energy: -55.395 flat angles P-C4'-P energy: -36.495 tors. eta vs tors. theta energy: -36.498 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: 10 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -605.162432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.162432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.162432 (E_RNA) where: Base-Base interactions energy: -369.819 where: short stacking energy: -178.928 Base-Backbone interact. energy: -1.029 local terms energy: -234.314969 where: bonds (distance) C4'-P energy: -41.885 bonds (distance) P-C4' energy: -64.999 flat angles C4'-P-C4' energy: -51.872 flat angles P-C4'-P energy: -43.412 tors. eta vs tors. theta energy: -32.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -271.277619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.277619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.277619 (E_RNA) where: Base-Base interactions energy: -89.978 where: short stacking energy: -78.337 Base-Backbone interact. energy: 2.060 local terms energy: -183.360288 where: bonds (distance) C4'-P energy: -60.394 bonds (distance) P-C4' energy: -57.663 flat angles C4'-P-C4' energy: -39.965 flat angles P-C4'-P energy: -35.218 tors. eta vs tors. theta energy: 9.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -1126.754817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.754817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.754817 (E_RNA) where: Base-Base interactions energy: -789.792 where: short stacking energy: -353.389 Base-Backbone interact. energy: -0.259 local terms energy: -336.703780 where: bonds (distance) C4'-P energy: -57.657 bonds (distance) P-C4' energy: -66.507 flat angles C4'-P-C4' energy: -70.321 flat angles P-C4'-P energy: -37.053 tors. eta vs tors. theta energy: -105.166 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: 2 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -1105.904083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.904083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.904083 (E_RNA) where: Base-Base interactions energy: -758.664 where: short stacking energy: -340.514 Base-Backbone interact. energy: -0.483 local terms energy: -346.756751 where: bonds (distance) C4'-P energy: -61.404 bonds (distance) P-C4' energy: -61.995 flat angles C4'-P-C4' energy: -69.769 flat angles P-C4'-P energy: -52.500 tors. eta vs tors. theta energy: -101.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -1036.356495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.356495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.356495 (E_RNA) where: Base-Base interactions energy: -694.727 where: short stacking energy: -288.274 Base-Backbone interact. energy: 1.150 local terms energy: -342.779724 where: bonds (distance) C4'-P energy: -59.510 bonds (distance) P-C4' energy: -69.068 flat angles C4'-P-C4' energy: -69.532 flat angles P-C4'-P energy: -51.860 tors. eta vs tors. theta energy: -92.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -993.364696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.364696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.364696 (E_RNA) where: Base-Base interactions energy: -660.012 where: short stacking energy: -295.667 Base-Backbone interact. energy: -0.416 local terms energy: -332.936718 where: bonds (distance) C4'-P energy: -56.537 bonds (distance) P-C4' energy: -65.957 flat angles C4'-P-C4' energy: -73.214 flat angles P-C4'-P energy: -51.791 tors. eta vs tors. theta energy: -85.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -964.115191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.115191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.115191 (E_RNA) where: Base-Base interactions energy: -665.309 where: short stacking energy: -282.318 Base-Backbone interact. energy: -2.876 local terms energy: -295.930782 where: bonds (distance) C4'-P energy: -55.729 bonds (distance) P-C4' energy: -57.137 flat angles C4'-P-C4' energy: -63.639 flat angles P-C4'-P energy: -47.810 tors. eta vs tors. theta energy: -71.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -873.096595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.096595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.096595 (E_RNA) where: Base-Base interactions energy: -583.414 where: short stacking energy: -270.838 Base-Backbone interact. energy: -1.384 local terms energy: -288.298939 where: bonds (distance) C4'-P energy: -48.723 bonds (distance) P-C4' energy: -56.887 flat angles C4'-P-C4' energy: -68.335 flat angles P-C4'-P energy: -44.059 tors. eta vs tors. theta energy: -70.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -754.111817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.111817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.111817 (E_RNA) where: Base-Base interactions energy: -491.280 where: short stacking energy: -227.925 Base-Backbone interact. energy: -0.949 local terms energy: -261.883035 where: bonds (distance) C4'-P energy: -61.926 bonds (distance) P-C4' energy: -51.875 flat angles C4'-P-C4' energy: -43.254 flat angles P-C4'-P energy: -46.304 tors. eta vs tors. theta energy: -58.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -612.613809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.613809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.613809 (E_RNA) where: Base-Base interactions energy: -363.551 where: short stacking energy: -170.220 Base-Backbone interact. energy: -0.909 local terms energy: -248.153956 where: bonds (distance) C4'-P energy: -58.544 bonds (distance) P-C4' energy: -62.701 flat angles C4'-P-C4' energy: -57.559 flat angles P-C4'-P energy: -35.645 tors. eta vs tors. theta energy: -33.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -578.430155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.430155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.430155 (E_RNA) where: Base-Base interactions energy: -348.107 where: short stacking energy: -181.598 Base-Backbone interact. energy: -1.586 local terms energy: -228.736497 where: bonds (distance) C4'-P energy: -59.686 bonds (distance) P-C4' energy: -62.786 flat angles C4'-P-C4' energy: -55.056 flat angles P-C4'-P energy: -24.688 tors. eta vs tors. theta energy: -26.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -294.609029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.609029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.609029 (E_RNA) where: Base-Base interactions energy: -109.336 where: short stacking energy: -75.070 Base-Backbone interact. energy: 1.723 local terms energy: -186.996449 where: bonds (distance) C4'-P energy: -53.914 bonds (distance) P-C4' energy: -61.665 flat angles C4'-P-C4' energy: -49.309 flat angles P-C4'-P energy: -24.675 tors. eta vs tors. theta energy: 2.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -1131.072657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.072657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.072657 (E_RNA) where: Base-Base interactions energy: -770.832 where: short stacking energy: -331.475 Base-Backbone interact. energy: -1.700 local terms energy: -358.540989 where: bonds (distance) C4'-P energy: -67.121 bonds (distance) P-C4' energy: -72.387 flat angles C4'-P-C4' energy: -67.262 flat angles P-C4'-P energy: -47.945 tors. eta vs tors. theta energy: -103.827 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: 2, replica: 2 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -1131.336304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.336304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.336304 (E_RNA) where: Base-Base interactions energy: -763.877 where: short stacking energy: -342.368 Base-Backbone interact. energy: -2.071 local terms energy: -365.388432 where: bonds (distance) C4'-P energy: -64.778 bonds (distance) P-C4' energy: -61.416 flat angles C4'-P-C4' energy: -75.691 flat angles P-C4'-P energy: -56.866 tors. eta vs tors. theta energy: -106.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -1033.966789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.966789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.966789 (E_RNA) where: Base-Base interactions energy: -698.686 where: short stacking energy: -295.695 Base-Backbone interact. energy: -0.537 local terms energy: -334.743769 where: bonds (distance) C4'-P energy: -57.294 bonds (distance) P-C4' energy: -67.568 flat angles C4'-P-C4' energy: -67.072 flat angles P-C4'-P energy: -45.036 tors. eta vs tors. theta energy: -97.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -953.466987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.466987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.466987 (E_RNA) where: Base-Base interactions energy: -650.390 where: short stacking energy: -270.465 Base-Backbone interact. energy: -3.302 local terms energy: -299.775345 where: bonds (distance) C4'-P energy: -60.066 bonds (distance) P-C4' energy: -52.914 flat angles C4'-P-C4' energy: -62.394 flat angles P-C4'-P energy: -46.843 tors. eta vs tors. theta energy: -77.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -947.712013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.712013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.712013 (E_RNA) where: Base-Base interactions energy: -632.673 where: short stacking energy: -288.840 Base-Backbone interact. energy: 0.460 local terms energy: -315.498815 where: bonds (distance) C4'-P energy: -66.377 bonds (distance) P-C4' energy: -54.951 flat angles C4'-P-C4' energy: -70.551 flat angles P-C4'-P energy: -39.449 tors. eta vs tors. theta energy: -84.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -885.476293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.476293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.476293 (E_RNA) where: Base-Base interactions energy: -604.788 where: short stacking energy: -247.778 Base-Backbone interact. energy: -0.474 local terms energy: -280.214906 where: bonds (distance) C4'-P energy: -58.141 bonds (distance) P-C4' energy: -50.048 flat angles C4'-P-C4' energy: -64.204 flat angles P-C4'-P energy: -40.446 tors. eta vs tors. theta energy: -67.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -756.472523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.472523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.472523 (E_RNA) where: Base-Base interactions energy: -486.272 where: short stacking energy: -231.322 Base-Backbone interact. energy: -1.544 local terms energy: -268.656256 where: bonds (distance) C4'-P energy: -50.699 bonds (distance) P-C4' energy: -56.219 flat angles C4'-P-C4' energy: -66.008 flat angles P-C4'-P energy: -38.338 tors. eta vs tors. theta energy: -57.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -602.057274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.057274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.057274 (E_RNA) where: Base-Base interactions energy: -367.993 where: short stacking energy: -172.072 Base-Backbone interact. energy: -0.874 local terms energy: -233.189626 where: bonds (distance) C4'-P energy: -48.467 bonds (distance) P-C4' energy: -54.479 flat angles C4'-P-C4' energy: -61.089 flat angles P-C4'-P energy: -42.068 tors. eta vs tors. theta energy: -27.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -584.693314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.693314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.693314 (E_RNA) where: Base-Base interactions energy: -356.480 where: short stacking energy: -160.557 Base-Backbone interact. energy: -2.069 local terms energy: -226.143467 where: bonds (distance) C4'-P energy: -57.339 bonds (distance) P-C4' energy: -48.689 flat angles C4'-P-C4' energy: -60.768 flat angles P-C4'-P energy: -30.759 tors. eta vs tors. theta energy: -28.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -270.774040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.774040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.774040 (E_RNA) where: Base-Base interactions energy: -77.649 where: short stacking energy: -55.683 Base-Backbone interact. energy: -0.310 local terms energy: -192.815104 where: bonds (distance) C4'-P energy: -57.483 bonds (distance) P-C4' energy: -62.291 flat angles C4'-P-C4' energy: -50.301 flat angles P-C4'-P energy: -30.789 tors. eta vs tors. theta energy: 8.049 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: 2 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -1124.786373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.786373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.786373 (E_RNA) where: Base-Base interactions energy: -787.865 where: short stacking energy: -349.684 Base-Backbone interact. energy: -1.515 local terms energy: -335.406507 where: bonds (distance) C4'-P energy: -61.397 bonds (distance) P-C4' energy: -56.289 flat angles C4'-P-C4' energy: -70.019 flat angles P-C4'-P energy: -49.673 tors. eta vs tors. theta energy: -98.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -1119.623749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.623749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.623749 (E_RNA) where: Base-Base interactions energy: -775.557 where: short stacking energy: -339.870 Base-Backbone interact. energy: -1.685 local terms energy: -342.381583 where: bonds (distance) C4'-P energy: -59.163 bonds (distance) P-C4' energy: -64.050 flat angles C4'-P-C4' energy: -71.967 flat angles P-C4'-P energy: -49.792 tors. eta vs tors. theta energy: -97.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -1063.105672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.105672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.105672 (E_RNA) where: Base-Base interactions energy: -713.716 where: short stacking energy: -326.716 Base-Backbone interact. energy: -1.190 local terms energy: -348.199882 where: bonds (distance) C4'-P energy: -61.212 bonds (distance) P-C4' energy: -62.515 flat angles C4'-P-C4' energy: -72.004 flat angles P-C4'-P energy: -50.831 tors. eta vs tors. theta energy: -101.638 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: 7 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -970.860918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.860918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.860918 (E_RNA) where: Base-Base interactions energy: -651.000 where: short stacking energy: -297.180 Base-Backbone interact. energy: -1.317 local terms energy: -318.544272 where: bonds (distance) C4'-P energy: -69.300 bonds (distance) P-C4' energy: -57.873 flat angles C4'-P-C4' energy: -68.475 flat angles P-C4'-P energy: -45.880 tors. eta vs tors. theta energy: -77.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -947.867555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.867555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.867555 (E_RNA) where: Base-Base interactions energy: -632.620 where: short stacking energy: -272.298 Base-Backbone interact. energy: 0.230 local terms energy: -315.477229 where: bonds (distance) C4'-P energy: -56.985 bonds (distance) P-C4' energy: -64.054 flat angles C4'-P-C4' energy: -65.162 flat angles P-C4'-P energy: -46.029 tors. eta vs tors. theta energy: -83.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -806.747818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.747818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.747818 (E_RNA) where: Base-Base interactions energy: -526.357 where: short stacking energy: -226.912 Base-Backbone interact. energy: -0.644 local terms energy: -279.747330 where: bonds (distance) C4'-P energy: -66.389 bonds (distance) P-C4' energy: -47.035 flat angles C4'-P-C4' energy: -66.483 flat angles P-C4'-P energy: -50.531 tors. eta vs tors. theta energy: -49.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -751.852270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.852270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.852270 (E_RNA) where: Base-Base interactions energy: -476.748 where: short stacking energy: -214.878 Base-Backbone interact. energy: -1.054 local terms energy: -274.050805 where: bonds (distance) C4'-P energy: -50.421 bonds (distance) P-C4' energy: -64.552 flat angles C4'-P-C4' energy: -58.652 flat angles P-C4'-P energy: -41.653 tors. eta vs tors. theta energy: -58.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -620.093680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.093680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.093680 (E_RNA) where: Base-Base interactions energy: -379.772 where: short stacking energy: -189.041 Base-Backbone interact. energy: -0.475 local terms energy: -239.846556 where: bonds (distance) C4'-P energy: -53.446 bonds (distance) P-C4' energy: -52.994 flat angles C4'-P-C4' energy: -59.383 flat angles P-C4'-P energy: -34.012 tors. eta vs tors. theta energy: -40.012 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: 9, replica: 6 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -606.608939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.608939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.608939 (E_RNA) where: Base-Base interactions energy: -387.468 where: short stacking energy: -177.467 Base-Backbone interact. energy: -2.691 local terms energy: -216.449793 where: bonds (distance) C4'-P energy: -46.497 bonds (distance) P-C4' energy: -59.474 flat angles C4'-P-C4' energy: -53.102 flat angles P-C4'-P energy: -29.266 tors. eta vs tors. theta energy: -28.111 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: 10, replica: 4 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -266.639647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.639647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.639647 (E_RNA) where: Base-Base interactions energy: -92.919 where: short stacking energy: -82.836 Base-Backbone interact. energy: -0.642 local terms energy: -173.078594 where: bonds (distance) C4'-P energy: -56.051 bonds (distance) P-C4' energy: -52.193 flat angles C4'-P-C4' energy: -45.611 flat angles P-C4'-P energy: -20.759 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: 1, replica: 2 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -1129.031721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.031721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.031721 (E_RNA) where: Base-Base interactions energy: -775.111 where: short stacking energy: -334.567 Base-Backbone interact. energy: -2.571 local terms energy: -351.349067 where: bonds (distance) C4'-P energy: -54.044 bonds (distance) P-C4' energy: -70.781 flat angles C4'-P-C4' energy: -69.557 flat angles P-C4'-P energy: -54.548 tors. eta vs tors. theta energy: -102.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -1130.017282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.017282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.017282 (E_RNA) where: Base-Base interactions energy: -765.793 where: short stacking energy: -329.490 Base-Backbone interact. energy: -1.928 local terms energy: -362.296847 where: bonds (distance) C4'-P energy: -69.154 bonds (distance) P-C4' energy: -61.968 flat angles C4'-P-C4' energy: -74.971 flat angles P-C4'-P energy: -52.965 tors. eta vs tors. theta energy: -103.239 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: 3, replica: 1 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -1059.459132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.459132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.459132 (E_RNA) where: Base-Base interactions energy: -720.041 where: short stacking energy: -318.473 Base-Backbone interact. energy: -0.625 local terms energy: -338.793913 where: bonds (distance) C4'-P energy: -57.929 bonds (distance) P-C4' energy: -63.170 flat angles C4'-P-C4' energy: -63.542 flat angles P-C4'-P energy: -50.610 tors. eta vs tors. theta energy: -103.544 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: 7 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -974.870713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.870713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.870713 (E_RNA) where: Base-Base interactions energy: -659.240 where: short stacking energy: -288.207 Base-Backbone interact. energy: -0.070 local terms energy: -315.560188 where: bonds (distance) C4'-P energy: -66.655 bonds (distance) P-C4' energy: -59.882 flat angles C4'-P-C4' energy: -61.530 flat angles P-C4'-P energy: -40.931 tors. eta vs tors. theta energy: -86.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -932.101187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.101187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.101187 (E_RNA) where: Base-Base interactions energy: -639.841 where: short stacking energy: -283.331 Base-Backbone interact. energy: -1.018 local terms energy: -291.242806 where: bonds (distance) C4'-P energy: -53.264 bonds (distance) P-C4' energy: -54.503 flat angles C4'-P-C4' energy: -70.468 flat angles P-C4'-P energy: -38.356 tors. eta vs tors. theta energy: -74.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -849.606406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.606406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.606406 (E_RNA) where: Base-Base interactions energy: -588.560 where: short stacking energy: -249.849 Base-Backbone interact. energy: -1.785 local terms energy: -259.261064 where: bonds (distance) C4'-P energy: -42.613 bonds (distance) P-C4' energy: -51.762 flat angles C4'-P-C4' energy: -60.584 flat angles P-C4'-P energy: -38.777 tors. eta vs tors. theta energy: -65.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -769.784864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.784864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.784864 (E_RNA) where: Base-Base interactions energy: -477.605 where: short stacking energy: -219.698 Base-Backbone interact. energy: -1.017 local terms energy: -291.163501 where: bonds (distance) C4'-P energy: -62.310 bonds (distance) P-C4' energy: -61.961 flat angles C4'-P-C4' energy: -70.810 flat angles P-C4'-P energy: -38.367 tors. eta vs tors. theta energy: -57.716 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: 6 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -599.460239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.460239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.460239 (E_RNA) where: Base-Base interactions energy: -375.708 where: short stacking energy: -159.818 Base-Backbone interact. energy: -1.191 local terms energy: -222.561371 where: bonds (distance) C4'-P energy: -52.246 bonds (distance) P-C4' energy: -60.059 flat angles C4'-P-C4' energy: -58.996 flat angles P-C4'-P energy: -23.376 tors. eta vs tors. theta energy: -27.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -594.047485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.047485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.047485 (E_RNA) where: Base-Base interactions energy: -365.651 where: short stacking energy: -170.459 Base-Backbone interact. energy: 0.476 local terms energy: -228.872443 where: bonds (distance) C4'-P energy: -58.220 bonds (distance) P-C4' energy: -57.864 flat angles C4'-P-C4' energy: -39.855 flat angles P-C4'-P energy: -36.506 tors. eta vs tors. theta energy: -36.426 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: 4 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -318.800306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.800306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.800306 (E_RNA) where: Base-Base interactions energy: -145.553 where: short stacking energy: -91.070 Base-Backbone interact. energy: -1.035 local terms energy: -172.212036 where: bonds (distance) C4'-P energy: -49.376 bonds (distance) P-C4' energy: -60.204 flat angles C4'-P-C4' energy: -42.864 flat angles P-C4'-P energy: -27.968 tors. eta vs tors. theta energy: 8.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -1134.447750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.447750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.447750 (E_RNA) where: Base-Base interactions energy: -777.866 where: short stacking energy: -335.483 Base-Backbone interact. energy: -1.536 local terms energy: -355.045510 where: bonds (distance) C4'-P energy: -71.349 bonds (distance) P-C4' energy: -63.407 flat angles C4'-P-C4' energy: -72.367 flat angles P-C4'-P energy: -46.339 tors. eta vs tors. theta energy: -101.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -1102.196288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.196288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.196288 (E_RNA) where: Base-Base interactions energy: -753.041 where: short stacking energy: -320.123 Base-Backbone interact. energy: -2.989 local terms energy: -346.166194 where: bonds (distance) C4'-P energy: -61.998 bonds (distance) P-C4' energy: -58.858 flat angles C4'-P-C4' energy: -73.606 flat angles P-C4'-P energy: -50.462 tors. eta vs tors. theta energy: -101.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -1058.985579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.985579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.985579 (E_RNA) where: Base-Base interactions energy: -706.243 where: short stacking energy: -312.966 Base-Backbone interact. energy: -1.062 local terms energy: -351.680750 where: bonds (distance) C4'-P energy: -63.750 bonds (distance) P-C4' energy: -69.292 flat angles C4'-P-C4' energy: -75.860 flat angles P-C4'-P energy: -46.215 tors. eta vs tors. theta energy: -96.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -975.377418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.377418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.377418 (E_RNA) where: Base-Base interactions energy: -668.754 where: short stacking energy: -294.763 Base-Backbone interact. energy: -1.880 local terms energy: -304.743488 where: bonds (distance) C4'-P energy: -51.102 bonds (distance) P-C4' energy: -60.655 flat angles C4'-P-C4' energy: -64.040 flat angles P-C4'-P energy: -45.879 tors. eta vs tors. theta energy: -83.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -919.327645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.327645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.327645 (E_RNA) where: Base-Base interactions energy: -623.818 where: short stacking energy: -268.346 Base-Backbone interact. energy: -0.198 local terms energy: -295.311583 where: bonds (distance) C4'-P energy: -54.269 bonds (distance) P-C4' energy: -60.057 flat angles C4'-P-C4' energy: -62.869 flat angles P-C4'-P energy: -46.974 tors. eta vs tors. theta energy: -71.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -876.515510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.515510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.515510 (E_RNA) where: Base-Base interactions energy: -580.527 where: short stacking energy: -272.858 Base-Backbone interact. energy: 0.227 local terms energy: -296.214889 where: bonds (distance) C4'-P energy: -56.362 bonds (distance) P-C4' energy: -44.877 flat angles C4'-P-C4' energy: -69.909 flat angles P-C4'-P energy: -47.737 tors. eta vs tors. theta energy: -77.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -760.909436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.909436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.909436 (E_RNA) where: Base-Base interactions energy: -517.441 where: short stacking energy: -248.511 Base-Backbone interact. energy: 3.421 local terms energy: -246.889065 where: bonds (distance) C4'-P energy: -42.679 bonds (distance) P-C4' energy: -50.989 flat angles C4'-P-C4' energy: -59.873 flat angles P-C4'-P energy: -33.367 tors. eta vs tors. theta energy: -59.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -618.769146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.769146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.769146 (E_RNA) where: Base-Base interactions energy: -379.074 where: short stacking energy: -158.345 Base-Backbone interact. energy: -1.428 local terms energy: -238.266873 where: bonds (distance) C4'-P energy: -59.545 bonds (distance) P-C4' energy: -63.511 flat angles C4'-P-C4' energy: -50.556 flat angles P-C4'-P energy: -32.665 tors. eta vs tors. theta energy: -31.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -523.208093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.208093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.208093 (E_RNA) where: Base-Base interactions energy: -294.745 where: short stacking energy: -156.005 Base-Backbone interact. energy: -2.085 local terms energy: -226.378257 where: bonds (distance) C4'-P energy: -54.254 bonds (distance) P-C4' energy: -50.648 flat angles C4'-P-C4' energy: -58.457 flat angles P-C4'-P energy: -43.583 tors. eta vs tors. theta energy: -19.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -348.864677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.864677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.864677 (E_RNA) where: Base-Base interactions energy: -171.386 where: short stacking energy: -114.968 Base-Backbone interact. energy: 2.132 local terms energy: -179.611111 where: bonds (distance) C4'-P energy: -45.545 bonds (distance) P-C4' energy: -61.139 flat angles C4'-P-C4' energy: -43.984 flat angles P-C4'-P energy: -24.200 tors. eta vs tors. theta energy: -4.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -1120.702236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.702236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.702236 (E_RNA) where: Base-Base interactions energy: -772.945 where: short stacking energy: -341.264 Base-Backbone interact. energy: -1.658 local terms energy: -346.099850 where: bonds (distance) C4'-P energy: -52.818 bonds (distance) P-C4' energy: -66.227 flat angles C4'-P-C4' energy: -72.438 flat angles P-C4'-P energy: -48.039 tors. eta vs tors. theta energy: -106.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -1100.795994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.795994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.795994 (E_RNA) where: Base-Base interactions energy: -751.960 where: short stacking energy: -328.621 Base-Backbone interact. energy: -2.512 local terms energy: -346.324659 where: bonds (distance) C4'-P energy: -64.810 bonds (distance) P-C4' energy: -60.633 flat angles C4'-P-C4' energy: -70.469 flat angles P-C4'-P energy: -51.790 tors. eta vs tors. theta energy: -98.623 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: 1 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -1061.911833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.911833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.911833 (E_RNA) where: Base-Base interactions energy: -728.278 where: short stacking energy: -326.493 Base-Backbone interact. energy: -1.086 local terms energy: -332.548075 where: bonds (distance) C4'-P energy: -62.421 bonds (distance) P-C4' energy: -59.498 flat angles C4'-P-C4' energy: -63.892 flat angles P-C4'-P energy: -46.333 tors. eta vs tors. theta energy: -100.404 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: 7 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -957.854899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.854899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.854899 (E_RNA) where: Base-Base interactions energy: -666.837 where: short stacking energy: -272.269 Base-Backbone interact. energy: 0.339 local terms energy: -291.356432 where: bonds (distance) C4'-P energy: -62.328 bonds (distance) P-C4' energy: -56.586 flat angles C4'-P-C4' energy: -60.729 flat angles P-C4'-P energy: -30.911 tors. eta vs tors. theta energy: -80.801 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: 5 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -928.087522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.087522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.087522 (E_RNA) where: Base-Base interactions energy: -649.971 where: short stacking energy: -278.626 Base-Backbone interact. energy: -0.939 local terms energy: -277.177004 where: bonds (distance) C4'-P energy: -43.098 bonds (distance) P-C4' energy: -56.516 flat angles C4'-P-C4' energy: -62.832 flat angles P-C4'-P energy: -38.537 tors. eta vs tors. theta energy: -76.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -853.436007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.436007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.436007 (E_RNA) where: Base-Base interactions energy: -568.031 where: short stacking energy: -262.411 Base-Backbone interact. energy: 3.979 local terms energy: -289.384417 where: bonds (distance) C4'-P energy: -52.659 bonds (distance) P-C4' energy: -47.765 flat angles C4'-P-C4' energy: -58.324 flat angles P-C4'-P energy: -48.413 tors. eta vs tors. theta energy: -82.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -761.871315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.871315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.871315 (E_RNA) where: Base-Base interactions energy: -497.693 where: short stacking energy: -239.465 Base-Backbone interact. energy: -1.327 local terms energy: -262.851976 where: bonds (distance) C4'-P energy: -51.875 bonds (distance) P-C4' energy: -63.774 flat angles C4'-P-C4' energy: -50.518 flat angles P-C4'-P energy: -44.267 tors. eta vs tors. theta energy: -52.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -608.411400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.411400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.411400 (E_RNA) where: Base-Base interactions energy: -353.313 where: short stacking energy: -157.628 Base-Backbone interact. energy: -0.453 local terms energy: -254.645219 where: bonds (distance) C4'-P energy: -60.312 bonds (distance) P-C4' energy: -73.756 flat angles C4'-P-C4' energy: -50.802 flat angles P-C4'-P energy: -36.687 tors. eta vs tors. theta energy: -33.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -520.624853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.624853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.624853 (E_RNA) where: Base-Base interactions energy: -290.258 where: short stacking energy: -144.360 Base-Backbone interact. energy: -1.130 local terms energy: -229.236640 where: bonds (distance) C4'-P energy: -49.324 bonds (distance) P-C4' energy: -59.206 flat angles C4'-P-C4' energy: -54.420 flat angles P-C4'-P energy: -37.598 tors. eta vs tors. theta energy: -28.689 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: 4 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -376.268190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.268190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.268190 (E_RNA) where: Base-Base interactions energy: -189.955 where: short stacking energy: -100.061 Base-Backbone interact. energy: 0.764 local terms energy: -187.076868 where: bonds (distance) C4'-P energy: -47.713 bonds (distance) P-C4' energy: -55.662 flat angles C4'-P-C4' energy: -40.585 flat angles P-C4'-P energy: -32.798 tors. eta vs tors. theta energy: -10.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -1127.299309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.299309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.299309 (E_RNA) where: Base-Base interactions energy: -790.501 where: short stacking energy: -333.439 Base-Backbone interact. energy: -0.580 local terms energy: -336.217486 where: bonds (distance) C4'-P energy: -54.746 bonds (distance) P-C4' energy: -64.175 flat angles C4'-P-C4' energy: -71.412 flat angles P-C4'-P energy: -46.326 tors. eta vs tors. theta energy: -99.558 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: 2, replica: 2 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -1113.235103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.235103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.235103 (E_RNA) where: Base-Base interactions energy: -761.450 where: short stacking energy: -322.339 Base-Backbone interact. energy: -1.304 local terms energy: -350.480953 where: bonds (distance) C4'-P energy: -54.934 bonds (distance) P-C4' energy: -62.629 flat angles C4'-P-C4' energy: -74.350 flat angles P-C4'-P energy: -59.383 tors. eta vs tors. theta energy: -99.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -1052.102790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.102790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.102790 (E_RNA) where: Base-Base interactions energy: -706.755 where: short stacking energy: -316.498 Base-Backbone interact. energy: 0.393 local terms energy: -345.740400 where: bonds (distance) C4'-P energy: -58.175 bonds (distance) P-C4' energy: -68.511 flat angles C4'-P-C4' energy: -65.289 flat angles P-C4'-P energy: -47.838 tors. eta vs tors. theta energy: -105.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -975.156014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.156014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.156014 (E_RNA) where: Base-Base interactions energy: -652.008 where: short stacking energy: -283.067 Base-Backbone interact. energy: -3.452 local terms energy: -319.696064 where: bonds (distance) C4'-P energy: -47.831 bonds (distance) P-C4' energy: -68.118 flat angles C4'-P-C4' energy: -74.128 flat angles P-C4'-P energy: -49.391 tors. eta vs tors. theta energy: -80.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -928.204988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.204988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.204988 (E_RNA) where: Base-Base interactions energy: -630.599 where: short stacking energy: -251.581 Base-Backbone interact. energy: 1.208 local terms energy: -298.813659 where: bonds (distance) C4'-P energy: -62.105 bonds (distance) P-C4' energy: -58.050 flat angles C4'-P-C4' energy: -62.419 flat angles P-C4'-P energy: -37.499 tors. eta vs tors. theta energy: -78.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -829.963123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.963123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.963123 (E_RNA) where: Base-Base interactions energy: -566.723 where: short stacking energy: -238.977 Base-Backbone interact. energy: -0.223 local terms energy: -263.016535 where: bonds (distance) C4'-P energy: -60.278 bonds (distance) P-C4' energy: -50.146 flat angles C4'-P-C4' energy: -53.521 flat angles P-C4'-P energy: -39.722 tors. eta vs tors. theta energy: -59.350 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: 8 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -755.911797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.911797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.911797 (E_RNA) where: Base-Base interactions energy: -489.339 where: short stacking energy: -227.355 Base-Backbone interact. energy: -1.426 local terms energy: -265.146374 where: bonds (distance) C4'-P energy: -51.609 bonds (distance) P-C4' energy: -58.917 flat angles C4'-P-C4' energy: -56.139 flat angles P-C4'-P energy: -43.971 tors. eta vs tors. theta energy: -54.511 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: 6 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -633.632978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.632978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.632978 (E_RNA) where: Base-Base interactions energy: -395.723 where: short stacking energy: -192.447 Base-Backbone interact. energy: -1.615 local terms energy: -236.295052 where: bonds (distance) C4'-P energy: -44.211 bonds (distance) P-C4' energy: -56.947 flat angles C4'-P-C4' energy: -60.782 flat angles P-C4'-P energy: -36.005 tors. eta vs tors. theta energy: -38.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -447.796857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.796857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.796857 (E_RNA) where: Base-Base interactions energy: -244.011 where: short stacking energy: -134.591 Base-Backbone interact. energy: -1.269 local terms energy: -202.516221 where: bonds (distance) C4'-P energy: -50.795 bonds (distance) P-C4' energy: -52.004 flat angles C4'-P-C4' energy: -47.405 flat angles P-C4'-P energy: -31.387 tors. eta vs tors. theta energy: -20.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -480.705425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.705425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.705425 (E_RNA) where: Base-Base interactions energy: -283.803 where: short stacking energy: -124.286 Base-Backbone interact. energy: -1.463 local terms energy: -195.439885 where: bonds (distance) C4'-P energy: -53.110 bonds (distance) P-C4' energy: -54.590 flat angles C4'-P-C4' energy: -43.383 flat angles P-C4'-P energy: -32.074 tors. eta vs tors. theta energy: -12.284 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: 3 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -1140.169676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.169676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.169676 (E_RNA) where: Base-Base interactions energy: -789.647 where: short stacking energy: -333.677 Base-Backbone interact. energy: -1.168 local terms energy: -349.354885 where: bonds (distance) C4'-P energy: -49.108 bonds (distance) P-C4' energy: -70.488 flat angles C4'-P-C4' energy: -73.545 flat angles P-C4'-P energy: -51.231 tors. eta vs tors. theta energy: -104.983 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: 2 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -1115.782709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.782709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.782709 (E_RNA) where: Base-Base interactions energy: -768.809 where: short stacking energy: -340.126 Base-Backbone interact. energy: -0.246 local terms energy: -346.727462 where: bonds (distance) C4'-P energy: -60.074 bonds (distance) P-C4' energy: -59.952 flat angles C4'-P-C4' energy: -75.219 flat angles P-C4'-P energy: -48.403 tors. eta vs tors. theta energy: -103.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -1069.384186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.384186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.384186 (E_RNA) where: Base-Base interactions energy: -728.950 where: short stacking energy: -318.245 Base-Backbone interact. energy: 3.542 local terms energy: -343.976465 where: bonds (distance) C4'-P energy: -61.349 bonds (distance) P-C4' energy: -62.396 flat angles C4'-P-C4' energy: -72.393 flat angles P-C4'-P energy: -42.397 tors. eta vs tors. theta energy: -105.441 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: 7 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -978.277354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.277354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.277354 (E_RNA) where: Base-Base interactions energy: -656.627 where: short stacking energy: -299.550 Base-Backbone interact. energy: -0.316 local terms energy: -321.334216 where: bonds (distance) C4'-P energy: -60.339 bonds (distance) P-C4' energy: -62.558 flat angles C4'-P-C4' energy: -67.385 flat angles P-C4'-P energy: -43.729 tors. eta vs tors. theta energy: -87.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -950.458914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.458914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.458914 (E_RNA) where: Base-Base interactions energy: -661.159 where: short stacking energy: -276.759 Base-Backbone interact. energy: 1.066 local terms energy: -290.365834 where: bonds (distance) C4'-P energy: -46.021 bonds (distance) P-C4' energy: -61.735 flat angles C4'-P-C4' energy: -69.493 flat angles P-C4'-P energy: -36.806 tors. eta vs tors. theta energy: -76.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -841.128133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.128133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.128133 (E_RNA) where: Base-Base interactions energy: -568.587 where: short stacking energy: -229.479 Base-Backbone interact. energy: -3.122 local terms energy: -269.419054 where: bonds (distance) C4'-P energy: -51.267 bonds (distance) P-C4' energy: -55.747 flat angles C4'-P-C4' energy: -57.754 flat angles P-C4'-P energy: -47.187 tors. eta vs tors. theta energy: -57.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -741.039209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.039209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.039209 (E_RNA) where: Base-Base interactions energy: -481.753 where: short stacking energy: -213.697 Base-Backbone interact. energy: 0.495 local terms energy: -259.780704 where: bonds (distance) C4'-P energy: -54.612 bonds (distance) P-C4' energy: -66.789 flat angles C4'-P-C4' energy: -54.764 flat angles P-C4'-P energy: -34.372 tors. eta vs tors. theta energy: -49.244 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: 6 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -605.939259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.939259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.939259 (E_RNA) where: Base-Base interactions energy: -386.403 where: short stacking energy: -178.754 Base-Backbone interact. energy: -1.905 local terms energy: -217.631327 where: bonds (distance) C4'-P energy: -57.017 bonds (distance) P-C4' energy: -42.752 flat angles C4'-P-C4' energy: -53.283 flat angles P-C4'-P energy: -37.832 tors. eta vs tors. theta energy: -26.748 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: 9, replica: 4 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -520.505538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.505538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.505538 (E_RNA) where: Base-Base interactions energy: -329.766 where: short stacking energy: -178.091 Base-Backbone interact. energy: 2.879 local terms energy: -193.619088 where: bonds (distance) C4'-P energy: -42.825 bonds (distance) P-C4' energy: -45.615 flat angles C4'-P-C4' energy: -47.837 flat angles P-C4'-P energy: -27.785 tors. eta vs tors. theta energy: -29.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -508.115231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.115231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.115231 (E_RNA) where: Base-Base interactions energy: -300.336 where: short stacking energy: -141.402 Base-Backbone interact. energy: -1.851 local terms energy: -205.927794 where: bonds (distance) C4'-P energy: -55.487 bonds (distance) P-C4' energy: -57.231 flat angles C4'-P-C4' energy: -41.111 flat angles P-C4'-P energy: -44.573 tors. eta vs tors. theta energy: -7.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -1135.735166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.735166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.735166 (E_RNA) where: Base-Base interactions energy: -776.186 where: short stacking energy: -320.246 Base-Backbone interact. energy: -0.653 local terms energy: -358.895893 where: bonds (distance) C4'-P energy: -61.528 bonds (distance) P-C4' energy: -65.231 flat angles C4'-P-C4' energy: -78.075 flat angles P-C4'-P energy: -50.314 tors. eta vs tors. theta energy: -103.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -1107.387937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.387937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.387937 (E_RNA) where: Base-Base interactions energy: -775.501 where: short stacking energy: -344.755 Base-Backbone interact. energy: -1.230 local terms energy: -330.656756 where: bonds (distance) C4'-P energy: -53.082 bonds (distance) P-C4' energy: -53.492 flat angles C4'-P-C4' energy: -77.867 flat angles P-C4'-P energy: -44.653 tors. eta vs tors. theta energy: -101.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -1045.025073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.025073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.025073 (E_RNA) where: Base-Base interactions energy: -714.664 where: short stacking energy: -315.312 Base-Backbone interact. energy: -0.542 local terms energy: -329.818172 where: bonds (distance) C4'-P energy: -57.801 bonds (distance) P-C4' energy: -57.580 flat angles C4'-P-C4' energy: -65.333 flat angles P-C4'-P energy: -52.414 tors. eta vs tors. theta energy: -96.690 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: 4, replica: 7 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -974.764905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.764905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.764905 (E_RNA) where: Base-Base interactions energy: -662.945 where: short stacking energy: -291.641 Base-Backbone interact. energy: 2.886 local terms energy: -314.706125 where: bonds (distance) C4'-P energy: -65.278 bonds (distance) P-C4' energy: -59.571 flat angles C4'-P-C4' energy: -72.777 flat angles P-C4'-P energy: -35.751 tors. eta vs tors. theta energy: -81.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -949.568424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.568424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.568424 (E_RNA) where: Base-Base interactions energy: -664.860 where: short stacking energy: -285.189 Base-Backbone interact. energy: 1.111 local terms energy: -285.819599 where: bonds (distance) C4'-P energy: -51.033 bonds (distance) P-C4' energy: -57.897 flat angles C4'-P-C4' energy: -64.522 flat angles P-C4'-P energy: -41.657 tors. eta vs tors. theta energy: -70.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -846.815074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.815074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.815074 (E_RNA) where: Base-Base interactions energy: -556.812 where: short stacking energy: -248.393 Base-Backbone interact. energy: -1.763 local terms energy: -288.240193 where: bonds (distance) C4'-P energy: -57.999 bonds (distance) P-C4' energy: -57.613 flat angles C4'-P-C4' energy: -66.605 flat angles P-C4'-P energy: -39.084 tors. eta vs tors. theta energy: -66.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -764.982159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.982159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.982159 (E_RNA) where: Base-Base interactions energy: -500.528 where: short stacking energy: -223.816 Base-Backbone interact. energy: -0.223 local terms energy: -264.231998 where: bonds (distance) C4'-P energy: -53.534 bonds (distance) P-C4' energy: -61.949 flat angles C4'-P-C4' energy: -48.439 flat angles P-C4'-P energy: -40.628 tors. eta vs tors. theta energy: -59.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -601.903447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.903447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.903447 (E_RNA) where: Base-Base interactions energy: -381.410 where: short stacking energy: -190.667 Base-Backbone interact. energy: -1.361 local terms energy: -219.132054 where: bonds (distance) C4'-P energy: -42.733 bonds (distance) P-C4' energy: -56.682 flat angles C4'-P-C4' energy: -54.601 flat angles P-C4'-P energy: -34.565 tors. eta vs tors. theta energy: -30.551 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: 4 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -518.767234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.767234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.767234 (E_RNA) where: Base-Base interactions energy: -286.433 where: short stacking energy: -133.590 Base-Backbone interact. energy: -0.634 local terms energy: -231.699451 where: bonds (distance) C4'-P energy: -47.839 bonds (distance) P-C4' energy: -50.940 flat angles C4'-P-C4' energy: -58.846 flat angles P-C4'-P energy: -47.854 tors. eta vs tors. theta energy: -26.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -528.446263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.446263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.446263 (E_RNA) where: Base-Base interactions energy: -337.944 where: short stacking energy: -153.402 Base-Backbone interact. energy: -0.565 local terms energy: -189.936960 where: bonds (distance) C4'-P energy: -53.660 bonds (distance) P-C4' energy: -49.487 flat angles C4'-P-C4' energy: -47.094 flat angles P-C4'-P energy: -24.057 tors. eta vs tors. theta energy: -15.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -1136.710980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.710980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.710980 (E_RNA) where: Base-Base interactions energy: -779.032 where: short stacking energy: -340.238 Base-Backbone interact. energy: -1.026 local terms energy: -356.652527 where: bonds (distance) C4'-P energy: -60.891 bonds (distance) P-C4' energy: -68.000 flat angles C4'-P-C4' energy: -71.383 flat angles P-C4'-P energy: -52.807 tors. eta vs tors. theta energy: -103.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -1117.261913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.261913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.261913 (E_RNA) where: Base-Base interactions energy: -754.627 where: short stacking energy: -325.507 Base-Backbone interact. energy: -1.262 local terms energy: -361.372432 where: bonds (distance) C4'-P energy: -63.350 bonds (distance) P-C4' energy: -66.268 flat angles C4'-P-C4' energy: -79.646 flat angles P-C4'-P energy: -50.323 tors. eta vs tors. theta energy: -101.785 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: 1 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -1049.865329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.865329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.865329 (E_RNA) where: Base-Base interactions energy: -722.025 where: short stacking energy: -315.279 Base-Backbone interact. energy: 3.583 local terms energy: -331.423303 where: bonds (distance) C4'-P energy: -49.078 bonds (distance) P-C4' energy: -65.151 flat angles C4'-P-C4' energy: -72.924 flat angles P-C4'-P energy: -44.249 tors. eta vs tors. theta energy: -100.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -975.321215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.321215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.321215 (E_RNA) where: Base-Base interactions energy: -687.995 where: short stacking energy: -286.453 Base-Backbone interact. energy: 0.597 local terms energy: -287.922935 where: bonds (distance) C4'-P energy: -50.904 bonds (distance) P-C4' energy: -56.890 flat angles C4'-P-C4' energy: -63.532 flat angles P-C4'-P energy: -40.457 tors. eta vs tors. theta energy: -76.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -949.358729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.358729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.358729 (E_RNA) where: Base-Base interactions energy: -660.367 where: short stacking energy: -277.876 Base-Backbone interact. energy: 5.449 local terms energy: -294.440804 where: bonds (distance) C4'-P energy: -68.612 bonds (distance) P-C4' energy: -58.400 flat angles C4'-P-C4' energy: -55.546 flat angles P-C4'-P energy: -35.258 tors. eta vs tors. theta energy: -76.625 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: 6, replica: 9 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -821.622418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.622418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.622418 (E_RNA) where: Base-Base interactions energy: -563.064 where: short stacking energy: -242.497 Base-Backbone interact. energy: -1.801 local terms energy: -256.757507 where: bonds (distance) C4'-P energy: -63.386 bonds (distance) P-C4' energy: -51.575 flat angles C4'-P-C4' energy: -53.575 flat angles P-C4'-P energy: -24.962 tors. eta vs tors. theta energy: -63.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -736.484690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.484690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.484690 (E_RNA) where: Base-Base interactions energy: -495.587 where: short stacking energy: -227.131 Base-Backbone interact. energy: -0.957 local terms energy: -239.940564 where: bonds (distance) C4'-P energy: -43.891 bonds (distance) P-C4' energy: -53.285 flat angles C4'-P-C4' energy: -56.890 flat angles P-C4'-P energy: -34.939 tors. eta vs tors. theta energy: -50.936 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: 6 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -600.963292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.963292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.963292 (E_RNA) where: Base-Base interactions energy: -377.834 where: short stacking energy: -179.541 Base-Backbone interact. energy: -0.322 local terms energy: -222.807467 where: bonds (distance) C4'-P energy: -50.415 bonds (distance) P-C4' energy: -48.329 flat angles C4'-P-C4' energy: -46.549 flat angles P-C4'-P energy: -35.410 tors. eta vs tors. theta energy: -42.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -510.335795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.335795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.335795 (E_RNA) where: Base-Base interactions energy: -297.511 where: short stacking energy: -158.928 Base-Backbone interact. energy: 2.966 local terms energy: -215.790600 where: bonds (distance) C4'-P energy: -50.846 bonds (distance) P-C4' energy: -53.689 flat angles C4'-P-C4' energy: -47.797 flat angles P-C4'-P energy: -33.270 tors. eta vs tors. theta energy: -30.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -509.765645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.765645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.765645 (E_RNA) where: Base-Base interactions energy: -281.119 where: short stacking energy: -139.763 Base-Backbone interact. energy: -0.580 local terms energy: -228.066549 where: bonds (distance) C4'-P energy: -50.095 bonds (distance) P-C4' energy: -53.199 flat angles C4'-P-C4' energy: -57.883 flat angles P-C4'-P energy: -40.794 tors. eta vs tors. theta energy: -26.096 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: 1, replica: 3 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -1138.898486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.898486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.898486 (E_RNA) where: Base-Base interactions energy: -794.421 where: short stacking energy: -334.477 Base-Backbone interact. energy: -1.428 local terms energy: -343.049249 where: bonds (distance) C4'-P energy: -54.192 bonds (distance) P-C4' energy: -65.330 flat angles C4'-P-C4' energy: -76.213 flat angles P-C4'-P energy: -50.531 tors. eta vs tors. theta energy: -96.784 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: 2 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -1119.752535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.752535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.752535 (E_RNA) where: Base-Base interactions energy: -771.235 where: short stacking energy: -344.180 Base-Backbone interact. energy: -0.186 local terms energy: -348.332399 where: bonds (distance) C4'-P energy: -56.417 bonds (distance) P-C4' energy: -59.943 flat angles C4'-P-C4' energy: -75.248 flat angles P-C4'-P energy: -50.565 tors. eta vs tors. theta energy: -106.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -1061.903291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.903291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.903291 (E_RNA) where: Base-Base interactions energy: -728.101 where: short stacking energy: -326.139 Base-Backbone interact. energy: -0.334 local terms energy: -333.468459 where: bonds (distance) C4'-P energy: -58.915 bonds (distance) P-C4' energy: -54.013 flat angles C4'-P-C4' energy: -73.710 flat angles P-C4'-P energy: -48.791 tors. eta vs tors. theta energy: -98.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -967.641669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.641669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.641669 (E_RNA) where: Base-Base interactions energy: -672.833 where: short stacking energy: -271.707 Base-Backbone interact. energy: -1.237 local terms energy: -293.571297 where: bonds (distance) C4'-P energy: -57.943 bonds (distance) P-C4' energy: -53.299 flat angles C4'-P-C4' energy: -61.296 flat angles P-C4'-P energy: -40.482 tors. eta vs tors. theta energy: -80.551 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: 5, replica: 5 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -953.202637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.202637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.202637 (E_RNA) where: Base-Base interactions energy: -651.089 where: short stacking energy: -288.870 Base-Backbone interact. energy: 1.406 local terms energy: -303.519647 where: bonds (distance) C4'-P energy: -50.228 bonds (distance) P-C4' energy: -59.189 flat angles C4'-P-C4' energy: -75.232 flat angles P-C4'-P energy: -41.044 tors. eta vs tors. theta energy: -77.827 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: 9 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -862.489195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.489195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.489195 (E_RNA) where: Base-Base interactions energy: -581.614 where: short stacking energy: -270.558 Base-Backbone interact. energy: -0.196 local terms energy: -280.679054 where: bonds (distance) C4'-P energy: -47.958 bonds (distance) P-C4' energy: -49.197 flat angles C4'-P-C4' energy: -65.858 flat angles P-C4'-P energy: -39.898 tors. eta vs tors. theta energy: -77.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -718.110470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.110470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.110470 (E_RNA) where: Base-Base interactions energy: -472.725 where: short stacking energy: -230.003 Base-Backbone interact. energy: 0.430 local terms energy: -245.815392 where: bonds (distance) C4'-P energy: -49.026 bonds (distance) P-C4' energy: -66.664 flat angles C4'-P-C4' energy: -44.631 flat angles P-C4'-P energy: -28.264 tors. eta vs tors. theta energy: -57.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -623.120830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.120830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.120830 (E_RNA) where: Base-Base interactions energy: -382.007 where: short stacking energy: -172.622 Base-Backbone interact. energy: -0.751 local terms energy: -240.362991 where: bonds (distance) C4'-P energy: -58.051 bonds (distance) P-C4' energy: -57.120 flat angles C4'-P-C4' energy: -58.432 flat angles P-C4'-P energy: -39.589 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: 9, replica: 4 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -528.508754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.508754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.508754 (E_RNA) where: Base-Base interactions energy: -328.724 where: short stacking energy: -153.656 Base-Backbone interact. energy: -1.452 local terms energy: -198.332495 where: bonds (distance) C4'-P energy: -52.395 bonds (distance) P-C4' energy: -52.343 flat angles C4'-P-C4' energy: -46.057 flat angles P-C4'-P energy: -21.276 tors. eta vs tors. theta energy: -26.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -532.579750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.579750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.579750 (E_RNA) where: Base-Base interactions energy: -303.543 where: short stacking energy: -154.694 Base-Backbone interact. energy: -0.713 local terms energy: -228.323241 where: bonds (distance) C4'-P energy: -60.270 bonds (distance) P-C4' energy: -55.821 flat angles C4'-P-C4' energy: -57.841 flat angles P-C4'-P energy: -31.568 tors. eta vs tors. theta energy: -22.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -1132.279629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.279629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.279629 (E_RNA) where: Base-Base interactions energy: -776.461 where: short stacking energy: -329.617 Base-Backbone interact. energy: -0.844 local terms energy: -354.974086 where: bonds (distance) C4'-P energy: -68.247 bonds (distance) P-C4' energy: -66.929 flat angles C4'-P-C4' energy: -72.600 flat angles P-C4'-P energy: -50.001 tors. eta vs tors. theta energy: -97.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -1061.486498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.486498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.486498 (E_RNA) where: Base-Base interactions energy: -725.536 where: short stacking energy: -314.259 Base-Backbone interact. energy: -4.101 local terms energy: -331.849631 where: bonds (distance) C4'-P energy: -56.148 bonds (distance) P-C4' energy: -60.992 flat angles C4'-P-C4' energy: -72.995 flat angles P-C4'-P energy: -48.887 tors. eta vs tors. theta energy: -92.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -1102.548093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.548093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.548093 (E_RNA) where: Base-Base interactions energy: -761.010 where: short stacking energy: -316.206 Base-Backbone interact. energy: -2.427 local terms energy: -339.110692 where: bonds (distance) C4'-P energy: -63.258 bonds (distance) P-C4' energy: -63.874 flat angles C4'-P-C4' energy: -72.161 flat angles P-C4'-P energy: -49.207 tors. eta vs tors. theta energy: -90.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -963.986485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.986485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.986485 (E_RNA) where: Base-Base interactions energy: -661.375 where: short stacking energy: -285.560 Base-Backbone interact. energy: -0.789 local terms energy: -301.822863 where: bonds (distance) C4'-P energy: -55.609 bonds (distance) P-C4' energy: -65.657 flat angles C4'-P-C4' energy: -64.853 flat angles P-C4'-P energy: -42.208 tors. eta vs tors. theta energy: -73.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -929.402759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.402759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.402759 (E_RNA) where: Base-Base interactions energy: -646.466 where: short stacking energy: -254.768 Base-Backbone interact. energy: -1.898 local terms energy: -281.038983 where: bonds (distance) C4'-P energy: -51.762 bonds (distance) P-C4' energy: -53.703 flat angles C4'-P-C4' energy: -60.908 flat angles P-C4'-P energy: -44.475 tors. eta vs tors. theta energy: -70.192 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: 9 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -917.392885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.392885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.392885 (E_RNA) where: Base-Base interactions energy: -607.341 where: short stacking energy: -276.469 Base-Backbone interact. energy: -1.296 local terms energy: -308.756454 where: bonds (distance) C4'-P energy: -57.497 bonds (distance) P-C4' energy: -54.060 flat angles C4'-P-C4' energy: -72.340 flat angles P-C4'-P energy: -44.918 tors. eta vs tors. theta energy: -79.941 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: 8 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -763.174301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.174301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.174301 (E_RNA) where: Base-Base interactions energy: -492.977 where: short stacking energy: -230.820 Base-Backbone interact. energy: -0.476 local terms energy: -269.721295 where: bonds (distance) C4'-P energy: -46.536 bonds (distance) P-C4' energy: -52.880 flat angles C4'-P-C4' energy: -63.477 flat angles P-C4'-P energy: -44.717 tors. eta vs tors. theta energy: -62.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -607.416990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.416990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.416990 (E_RNA) where: Base-Base interactions energy: -358.954 where: short stacking energy: -165.344 Base-Backbone interact. energy: -1.032 local terms energy: -247.431027 where: bonds (distance) C4'-P energy: -50.109 bonds (distance) P-C4' energy: -62.465 flat angles C4'-P-C4' energy: -57.972 flat angles P-C4'-P energy: -35.674 tors. eta vs tors. theta energy: -41.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -512.807040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.807040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.807040 (E_RNA) where: Base-Base interactions energy: -301.521 where: short stacking energy: -152.518 Base-Backbone interact. energy: -0.828 local terms energy: -210.457818 where: bonds (distance) C4'-P energy: -52.732 bonds (distance) P-C4' energy: -54.342 flat angles C4'-P-C4' energy: -50.814 flat angles P-C4'-P energy: -36.117 tors. eta vs tors. theta energy: -16.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -516.189326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.189326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.189326 (E_RNA) where: Base-Base interactions energy: -313.601 where: short stacking energy: -132.422 Base-Backbone interact. energy: -0.908 local terms energy: -201.680157 where: bonds (distance) C4'-P energy: -56.222 bonds (distance) P-C4' energy: -54.544 flat angles C4'-P-C4' energy: -50.671 flat angles P-C4'-P energy: -23.456 tors. eta vs tors. theta energy: -16.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -1117.526838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.526838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.526838 (E_RNA) where: Base-Base interactions energy: -785.020 where: short stacking energy: -324.272 Base-Backbone interact. energy: -0.794 local terms energy: -331.712798 where: bonds (distance) C4'-P energy: -62.224 bonds (distance) P-C4' energy: -60.603 flat angles C4'-P-C4' energy: -59.481 flat angles P-C4'-P energy: -51.992 tors. eta vs tors. theta energy: -97.412 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: 1 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -1089.378304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.378304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.378304 (E_RNA) where: Base-Base interactions energy: -748.103 where: short stacking energy: -328.295 Base-Backbone interact. energy: -1.331 local terms energy: -339.944292 where: bonds (distance) C4'-P energy: -62.602 bonds (distance) P-C4' energy: -59.989 flat angles C4'-P-C4' energy: -76.874 flat angles P-C4'-P energy: -41.244 tors. eta vs tors. theta energy: -99.235 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: 2 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -1097.161504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.161504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.161504 (E_RNA) where: Base-Base interactions energy: -744.368 where: short stacking energy: -318.790 Base-Backbone interact. energy: 0.017 local terms energy: -352.809792 where: bonds (distance) C4'-P energy: -61.640 bonds (distance) P-C4' energy: -68.305 flat angles C4'-P-C4' energy: -66.749 flat angles P-C4'-P energy: -53.802 tors. eta vs tors. theta energy: -102.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -971.206590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.206590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.206590 (E_RNA) where: Base-Base interactions energy: -655.102 where: short stacking energy: -292.111 Base-Backbone interact. energy: -2.629 local terms energy: -313.475909 where: bonds (distance) C4'-P energy: -51.709 bonds (distance) P-C4' energy: -68.655 flat angles C4'-P-C4' energy: -66.274 flat angles P-C4'-P energy: -51.421 tors. eta vs tors. theta energy: -75.417 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: 5, replica: 7 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -956.953772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.953772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.953772 (E_RNA) where: Base-Base interactions energy: -648.835 where: short stacking energy: -277.554 Base-Backbone interact. energy: -1.798 local terms energy: -306.320978 where: bonds (distance) C4'-P energy: -65.634 bonds (distance) P-C4' energy: -62.252 flat angles C4'-P-C4' energy: -61.120 flat angles P-C4'-P energy: -44.858 tors. eta vs tors. theta energy: -72.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -830.547127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.547127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.547127 (E_RNA) where: Base-Base interactions energy: -560.290 where: short stacking energy: -270.436 Base-Backbone interact. energy: -2.145 local terms energy: -268.112585 where: bonds (distance) C4'-P energy: -57.326 bonds (distance) P-C4' energy: -46.438 flat angles C4'-P-C4' energy: -60.163 flat angles P-C4'-P energy: -36.891 tors. eta vs tors. theta energy: -67.295 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: 8 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -752.358204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.358204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.358204 (E_RNA) where: Base-Base interactions energy: -464.900 where: short stacking energy: -212.128 Base-Backbone interact. energy: -0.650 local terms energy: -286.808668 where: bonds (distance) C4'-P energy: -51.390 bonds (distance) P-C4' energy: -66.529 flat angles C4'-P-C4' energy: -69.196 flat angles P-C4'-P energy: -41.897 tors. eta vs tors. theta energy: -57.796 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: 6 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -621.249119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.249119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.249119 (E_RNA) where: Base-Base interactions energy: -380.577 where: short stacking energy: -189.800 Base-Backbone interact. energy: -0.826 local terms energy: -239.845680 where: bonds (distance) C4'-P energy: -52.222 bonds (distance) P-C4' energy: -53.111 flat angles C4'-P-C4' energy: -55.341 flat angles P-C4'-P energy: -42.537 tors. eta vs tors. theta energy: -36.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -505.966012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.966012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.966012 (E_RNA) where: Base-Base interactions energy: -299.650 where: short stacking energy: -148.222 Base-Backbone interact. energy: -0.865 local terms energy: -205.451798 where: bonds (distance) C4'-P energy: -60.497 bonds (distance) P-C4' energy: -47.952 flat angles C4'-P-C4' energy: -43.478 flat angles P-C4'-P energy: -34.471 tors. eta vs tors. theta energy: -19.054 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: 10, replica: 4 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -508.970689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.970689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.970689 (E_RNA) where: Base-Base interactions energy: -294.625 where: short stacking energy: -138.010 Base-Backbone interact. energy: -1.754 local terms energy: -212.591724 where: bonds (distance) C4'-P energy: -42.440 bonds (distance) P-C4' energy: -66.047 flat angles C4'-P-C4' energy: -61.954 flat angles P-C4'-P energy: -22.246 tors. eta vs tors. theta energy: -19.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -1093.672541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.672541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.672541 (E_RNA) where: Base-Base interactions energy: -768.776 where: short stacking energy: -321.882 Base-Backbone interact. energy: -1.647 local terms energy: -323.249010 where: bonds (distance) C4'-P energy: -62.495 bonds (distance) P-C4' energy: -64.745 flat angles C4'-P-C4' energy: -66.557 flat angles P-C4'-P energy: -27.083 tors. eta vs tors. theta energy: -102.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -1074.023526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.023526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.023526 (E_RNA) where: Base-Base interactions energy: -731.804 where: short stacking energy: -333.940 Base-Backbone interact. energy: 2.080 local terms energy: -344.299675 where: bonds (distance) C4'-P energy: -58.588 bonds (distance) P-C4' energy: -67.230 flat angles C4'-P-C4' energy: -65.007 flat angles P-C4'-P energy: -54.040 tors. eta vs tors. theta energy: -99.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -1095.598141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.598141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.598141 (E_RNA) where: Base-Base interactions energy: -772.212 where: short stacking energy: -342.387 Base-Backbone interact. energy: -0.781 local terms energy: -322.604925 where: bonds (distance) C4'-P energy: -54.370 bonds (distance) P-C4' energy: -55.780 flat angles C4'-P-C4' energy: -68.856 flat angles P-C4'-P energy: -44.234 tors. eta vs tors. theta energy: -99.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -983.041088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.041088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.041088 (E_RNA) where: Base-Base interactions energy: -657.200 where: short stacking energy: -299.194 Base-Backbone interact. energy: -2.041 local terms energy: -323.800082 where: bonds (distance) C4'-P energy: -46.288 bonds (distance) P-C4' energy: -64.983 flat angles C4'-P-C4' energy: -75.222 flat angles P-C4'-P energy: -49.614 tors. eta vs tors. theta energy: -87.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -941.279201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.279201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.279201 (E_RNA) where: Base-Base interactions energy: -619.469 where: short stacking energy: -250.320 Base-Backbone interact. energy: -1.460 local terms energy: -320.349574 where: bonds (distance) C4'-P energy: -65.927 bonds (distance) P-C4' energy: -65.305 flat angles C4'-P-C4' energy: -61.611 flat angles P-C4'-P energy: -52.066 tors. eta vs tors. theta energy: -75.440 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: 6, replica: 9 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -790.513848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.513848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.513848 (E_RNA) where: Base-Base interactions energy: -498.118 where: short stacking energy: -241.319 Base-Backbone interact. energy: -1.743 local terms energy: -290.652681 where: bonds (distance) C4'-P energy: -55.369 bonds (distance) P-C4' energy: -64.285 flat angles C4'-P-C4' energy: -60.960 flat angles P-C4'-P energy: -47.146 tors. eta vs tors. theta energy: -62.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -753.937239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.937239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.937239 (E_RNA) where: Base-Base interactions energy: -467.176 where: short stacking energy: -225.092 Base-Backbone interact. energy: 2.406 local terms energy: -289.167070 where: bonds (distance) C4'-P energy: -58.544 bonds (distance) P-C4' energy: -56.685 flat angles C4'-P-C4' energy: -63.627 flat angles P-C4'-P energy: -44.135 tors. eta vs tors. theta energy: -66.177 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: 8, replica: 6 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -591.422032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.422032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.422032 (E_RNA) where: Base-Base interactions energy: -372.621 where: short stacking energy: -181.054 Base-Backbone interact. energy: -1.598 local terms energy: -217.203189 where: bonds (distance) C4'-P energy: -51.928 bonds (distance) P-C4' energy: -58.059 flat angles C4'-P-C4' energy: -50.039 flat angles P-C4'-P energy: -27.646 tors. eta vs tors. theta energy: -29.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -525.309433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.309433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.309433 (E_RNA) where: Base-Base interactions energy: -311.501 where: short stacking energy: -143.850 Base-Backbone interact. energy: -0.586 local terms energy: -213.221998 where: bonds (distance) C4'-P energy: -49.914 bonds (distance) P-C4' energy: -57.853 flat angles C4'-P-C4' energy: -57.263 flat angles P-C4'-P energy: -22.803 tors. eta vs tors. theta energy: -25.389 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: 4 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -514.320083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.320083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.320083 (E_RNA) where: Base-Base interactions energy: -288.237 where: short stacking energy: -127.133 Base-Backbone interact. energy: 0.585 local terms energy: -226.667598 where: bonds (distance) C4'-P energy: -55.702 bonds (distance) P-C4' energy: -55.278 flat angles C4'-P-C4' energy: -51.690 flat angles P-C4'-P energy: -38.514 tors. eta vs tors. theta energy: -25.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -1097.473739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.473739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.473739 (E_RNA) where: Base-Base interactions energy: -736.556 where: short stacking energy: -324.952 Base-Backbone interact. energy: -2.032 local terms energy: -358.885683 where: bonds (distance) C4'-P energy: -64.335 bonds (distance) P-C4' energy: -65.931 flat angles C4'-P-C4' energy: -77.890 flat angles P-C4'-P energy: -48.286 tors. eta vs tors. theta energy: -102.443 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: 230 Temperature: 0.950000 Total energy: -1076.398086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.398086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.398086 (E_RNA) where: Base-Base interactions energy: -748.073 where: short stacking energy: -316.210 Base-Backbone interact. energy: -0.407 local terms energy: -327.917924 where: bonds (distance) C4'-P energy: -61.429 bonds (distance) P-C4' energy: -65.853 flat angles C4'-P-C4' energy: -68.873 flat angles P-C4'-P energy: -40.969 tors. eta vs tors. theta energy: -90.794 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: 2 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -1091.018694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.018694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.018694 (E_RNA) where: Base-Base interactions energy: -755.863 where: short stacking energy: -317.934 Base-Backbone interact. energy: -0.502 local terms energy: -334.653868 where: bonds (distance) C4'-P energy: -66.678 bonds (distance) P-C4' energy: -67.075 flat angles C4'-P-C4' energy: -61.066 flat angles P-C4'-P energy: -49.115 tors. eta vs tors. theta energy: -90.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -981.077843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.077843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.077843 (E_RNA) where: Base-Base interactions energy: -669.816 where: short stacking energy: -290.520 Base-Backbone interact. energy: -2.027 local terms energy: -309.234354 where: bonds (distance) C4'-P energy: -58.236 bonds (distance) P-C4' energy: -54.360 flat angles C4'-P-C4' energy: -70.511 flat angles P-C4'-P energy: -48.669 tors. eta vs tors. theta energy: -77.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -905.682932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.682932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.682932 (E_RNA) where: Base-Base interactions energy: -596.820 where: short stacking energy: -267.390 Base-Backbone interact. energy: -0.906 local terms energy: -307.956907 where: bonds (distance) C4'-P energy: -53.585 bonds (distance) P-C4' energy: -63.063 flat angles C4'-P-C4' energy: -73.124 flat angles P-C4'-P energy: -39.356 tors. eta vs tors. theta energy: -78.830 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: 9 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -807.739481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.739481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.739481 (E_RNA) where: Base-Base interactions energy: -518.235 where: short stacking energy: -252.571 Base-Backbone interact. energy: -1.890 local terms energy: -287.615210 where: bonds (distance) C4'-P energy: -52.186 bonds (distance) P-C4' energy: -63.333 flat angles C4'-P-C4' energy: -68.593 flat angles P-C4'-P energy: -37.872 tors. eta vs tors. theta energy: -65.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -741.452853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.452853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.452853 (E_RNA) where: Base-Base interactions energy: -480.823 where: short stacking energy: -230.444 Base-Backbone interact. energy: 1.285 local terms energy: -261.914488 where: bonds (distance) C4'-P energy: -50.579 bonds (distance) P-C4' energy: -65.177 flat angles C4'-P-C4' energy: -48.360 flat angles P-C4'-P energy: -39.534 tors. eta vs tors. theta energy: -58.265 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: 6 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -594.154003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.154003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.154003 (E_RNA) where: Base-Base interactions energy: -368.423 where: short stacking energy: -152.381 Base-Backbone interact. energy: 0.181 local terms energy: -225.911370 where: bonds (distance) C4'-P energy: -54.851 bonds (distance) P-C4' energy: -53.426 flat angles C4'-P-C4' energy: -49.863 flat angles P-C4'-P energy: -39.133 tors. eta vs tors. theta energy: -28.638 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: 4 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -546.809778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.809778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.809778 (E_RNA) where: Base-Base interactions energy: -331.746 where: short stacking energy: -179.722 Base-Backbone interact. energy: -0.772 local terms energy: -214.291799 where: bonds (distance) C4'-P energy: -46.819 bonds (distance) P-C4' energy: -57.860 flat angles C4'-P-C4' energy: -53.027 flat angles P-C4'-P energy: -19.148 tors. eta vs tors. theta energy: -37.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -493.120479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.120479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.120479 (E_RNA) where: Base-Base interactions energy: -301.604 where: short stacking energy: -131.250 Base-Backbone interact. energy: 1.635 local terms energy: -193.151677 where: bonds (distance) C4'-P energy: -46.098 bonds (distance) P-C4' energy: -50.476 flat angles C4'-P-C4' energy: -46.520 flat angles P-C4'-P energy: -39.036 tors. eta vs tors. theta energy: -11.022 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: 1, replica: 1 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -1100.839404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.839404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.839404 (E_RNA) where: Base-Base interactions energy: -745.652 where: short stacking energy: -333.199 Base-Backbone interact. energy: -2.322 local terms energy: -352.865222 where: bonds (distance) C4'-P energy: -61.368 bonds (distance) P-C4' energy: -71.262 flat angles C4'-P-C4' energy: -66.343 flat angles P-C4'-P energy: -52.442 tors. eta vs tors. theta energy: -101.450 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: 2, replica: 2 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -1105.176072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.176072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.176072 (E_RNA) where: Base-Base interactions energy: -757.466 where: short stacking energy: -330.934 Base-Backbone interact. energy: -0.308 local terms energy: -347.401978 where: bonds (distance) C4'-P energy: -67.149 bonds (distance) P-C4' energy: -53.549 flat angles C4'-P-C4' energy: -78.079 flat angles P-C4'-P energy: -51.096 tors. eta vs tors. theta energy: -97.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -1063.890233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.890233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.890233 (E_RNA) where: Base-Base interactions energy: -726.761 where: short stacking energy: -317.040 Base-Backbone interact. energy: -1.806 local terms energy: -335.323284 where: bonds (distance) C4'-P energy: -65.117 bonds (distance) P-C4' energy: -55.526 flat angles C4'-P-C4' energy: -63.281 flat angles P-C4'-P energy: -54.610 tors. eta vs tors. theta energy: -96.789 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: 5 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -989.063224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.063224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.063224 (E_RNA) where: Base-Base interactions energy: -662.779 where: short stacking energy: -294.835 Base-Backbone interact. energy: -2.481 local terms energy: -323.803184 where: bonds (distance) C4'-P energy: -59.258 bonds (distance) P-C4' energy: -66.743 flat angles C4'-P-C4' energy: -70.611 flat angles P-C4'-P energy: -45.054 tors. eta vs tors. theta energy: -82.138 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: 231 Temperature: 1.100000 Total energy: -917.480816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.480816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.480816 (E_RNA) where: Base-Base interactions energy: -611.766 where: short stacking energy: -255.547 Base-Backbone interact. energy: -0.875 local terms energy: -304.839045 where: bonds (distance) C4'-P energy: -61.191 bonds (distance) P-C4' energy: -58.340 flat angles C4'-P-C4' energy: -66.323 flat angles P-C4'-P energy: -47.187 tors. eta vs tors. theta energy: -71.798 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: 8 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -781.591613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.591613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.591613 (E_RNA) where: Base-Base interactions energy: -503.940 where: short stacking energy: -221.933 Base-Backbone interact. energy: -0.943 local terms energy: -276.707753 where: bonds (distance) C4'-P energy: -60.608 bonds (distance) P-C4' energy: -53.453 flat angles C4'-P-C4' energy: -65.175 flat angles P-C4'-P energy: -46.935 tors. eta vs tors. theta energy: -50.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -743.519741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.519741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.519741 (E_RNA) where: Base-Base interactions energy: -467.226 where: short stacking energy: -200.569 Base-Backbone interact. energy: -0.483 local terms energy: -275.810829 where: bonds (distance) C4'-P energy: -61.290 bonds (distance) P-C4' energy: -65.228 flat angles C4'-P-C4' energy: -66.017 flat angles P-C4'-P energy: -39.306 tors. eta vs tors. theta energy: -43.970 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: 6 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -635.379023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.379023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.379023 (E_RNA) where: Base-Base interactions energy: -392.812 where: short stacking energy: -181.163 Base-Backbone interact. energy: -0.731 local terms energy: -241.836203 where: bonds (distance) C4'-P energy: -57.686 bonds (distance) P-C4' energy: -53.158 flat angles C4'-P-C4' energy: -54.363 flat angles P-C4'-P energy: -34.687 tors. eta vs tors. theta energy: -41.943 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: 4 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -542.048693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.048693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.048693 (E_RNA) where: Base-Base interactions energy: -322.769 where: short stacking energy: -163.836 Base-Backbone interact. energy: -0.353 local terms energy: -218.926878 where: bonds (distance) C4'-P energy: -51.302 bonds (distance) P-C4' energy: -65.443 flat angles C4'-P-C4' energy: -52.377 flat angles P-C4'-P energy: -23.003 tors. eta vs tors. theta energy: -26.801 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: 10, replica: 10 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -490.703937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.703937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.703937 (E_RNA) where: Base-Base interactions energy: -270.511 where: short stacking energy: -138.104 Base-Backbone interact. energy: 2.511 local terms energy: -222.704590 where: bonds (distance) C4'-P energy: -41.687 bonds (distance) P-C4' energy: -62.544 flat angles C4'-P-C4' energy: -61.604 flat angles P-C4'-P energy: -29.717 tors. eta vs tors. theta energy: -27.152 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: 2 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -1136.347765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.347765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.347765 (E_RNA) where: Base-Base interactions energy: -772.258 where: short stacking energy: -339.584 Base-Backbone interact. energy: -0.667 local terms energy: -363.421933 where: bonds (distance) C4'-P energy: -65.456 bonds (distance) P-C4' energy: -64.726 flat angles C4'-P-C4' energy: -76.998 flat angles P-C4'-P energy: -52.305 tors. eta vs tors. theta energy: -103.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -1084.263898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.263898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.263898 (E_RNA) where: Base-Base interactions energy: -731.527 where: short stacking energy: -317.062 Base-Backbone interact. energy: -1.843 local terms energy: -350.893602 where: bonds (distance) C4'-P energy: -63.449 bonds (distance) P-C4' energy: -68.914 flat angles C4'-P-C4' energy: -75.497 flat angles P-C4'-P energy: -44.133 tors. eta vs tors. theta energy: -98.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -1081.100517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.100517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.100517 (E_RNA) where: Base-Base interactions energy: -760.016 where: short stacking energy: -315.298 Base-Backbone interact. energy: -1.116 local terms energy: -319.968649 where: bonds (distance) C4'-P energy: -52.022 bonds (distance) P-C4' energy: -57.905 flat angles C4'-P-C4' energy: -71.796 flat angles P-C4'-P energy: -51.763 tors. eta vs tors. theta energy: -86.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -997.919444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.919444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.919444 (E_RNA) where: Base-Base interactions energy: -694.850 where: short stacking energy: -299.351 Base-Backbone interact. energy: 0.742 local terms energy: -303.811879 where: bonds (distance) C4'-P energy: -47.843 bonds (distance) P-C4' energy: -58.081 flat angles C4'-P-C4' energy: -73.172 flat angles P-C4'-P energy: -39.569 tors. eta vs tors. theta energy: -85.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -951.063344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.063344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.063344 (E_RNA) where: Base-Base interactions energy: -659.037 where: short stacking energy: -272.243 Base-Backbone interact. energy: -1.886 local terms energy: -290.140220 where: bonds (distance) C4'-P energy: -48.922 bonds (distance) P-C4' energy: -51.064 flat angles C4'-P-C4' energy: -65.784 flat angles P-C4'-P energy: -43.703 tors. eta vs tors. theta energy: -80.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -807.183615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.183615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.183615 (E_RNA) where: Base-Base interactions energy: -516.572 where: short stacking energy: -232.273 Base-Backbone interact. energy: -0.937 local terms energy: -289.674045 where: bonds (distance) C4'-P energy: -61.393 bonds (distance) P-C4' energy: -59.395 flat angles C4'-P-C4' energy: -68.300 flat angles P-C4'-P energy: -38.698 tors. eta vs tors. theta energy: -61.888 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: 9 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -720.551904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.551904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.551904 (E_RNA) where: Base-Base interactions energy: -458.066 where: short stacking energy: -181.258 Base-Backbone interact. energy: -0.618 local terms energy: -261.867546 where: bonds (distance) C4'-P energy: -53.520 bonds (distance) P-C4' energy: -60.775 flat angles C4'-P-C4' energy: -63.997 flat angles P-C4'-P energy: -34.134 tors. eta vs tors. theta energy: -49.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -614.351656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.351656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.351656 (E_RNA) where: Base-Base interactions energy: -388.110 where: short stacking energy: -182.665 Base-Backbone interact. energy: 5.532 local terms energy: -231.773832 where: bonds (distance) C4'-P energy: -58.882 bonds (distance) P-C4' energy: -57.597 flat angles C4'-P-C4' energy: -49.493 flat angles P-C4'-P energy: -37.039 tors. eta vs tors. theta energy: -28.763 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: 9, replica: 4 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -539.886055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.886055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.886055 (E_RNA) where: Base-Base interactions energy: -320.523 where: short stacking energy: -159.901 Base-Backbone interact. energy: 3.283 local terms energy: -222.646286 where: bonds (distance) C4'-P energy: -53.108 bonds (distance) P-C4' energy: -56.190 flat angles C4'-P-C4' energy: -53.943 flat angles P-C4'-P energy: -30.177 tors. eta vs tors. theta energy: -29.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -512.033470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.033470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.033470 (E_RNA) where: Base-Base interactions energy: -303.730 where: short stacking energy: -145.792 Base-Backbone interact. energy: -0.920 local terms energy: -207.383130 where: bonds (distance) C4'-P energy: -50.927 bonds (distance) P-C4' energy: -59.291 flat angles C4'-P-C4' energy: -51.469 flat angles P-C4'-P energy: -29.801 tors. eta vs tors. theta energy: -15.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -1139.976088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.976088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.976088 (E_RNA) where: Base-Base interactions energy: -778.692 where: short stacking energy: -335.946 Base-Backbone interact. energy: -0.518 local terms energy: -360.766441 where: bonds (distance) C4'-P energy: -60.510 bonds (distance) P-C4' energy: -68.768 flat angles C4'-P-C4' energy: -76.264 flat angles P-C4'-P energy: -51.638 tors. eta vs tors. theta energy: -103.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -1094.731236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.731236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.731236 (E_RNA) where: Base-Base interactions energy: -767.311 where: short stacking energy: -327.982 Base-Backbone interact. energy: -1.084 local terms energy: -326.335872 where: bonds (distance) C4'-P energy: -59.875 bonds (distance) P-C4' energy: -58.017 flat angles C4'-P-C4' energy: -70.600 flat angles P-C4'-P energy: -38.766 tors. eta vs tors. theta energy: -99.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -1044.427874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.427874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.427874 (E_RNA) where: Base-Base interactions energy: -715.701 where: short stacking energy: -301.614 Base-Backbone interact. energy: 1.144 local terms energy: -329.870588 where: bonds (distance) C4'-P energy: -65.365 bonds (distance) P-C4' energy: -52.772 flat angles C4'-P-C4' energy: -66.155 flat angles P-C4'-P energy: -45.321 tors. eta vs tors. theta energy: -100.258 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: 5 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -1039.083170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.083170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.083170 (E_RNA) where: Base-Base interactions energy: -714.240 where: short stacking energy: -321.792 Base-Backbone interact. energy: -0.733 local terms energy: -324.110301 where: bonds (distance) C4'-P energy: -57.873 bonds (distance) P-C4' energy: -50.955 flat angles C4'-P-C4' energy: -75.239 flat angles P-C4'-P energy: -49.997 tors. eta vs tors. theta energy: -90.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -956.484666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.484666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.484666 (E_RNA) where: Base-Base interactions energy: -644.850 where: short stacking energy: -285.453 Base-Backbone interact. energy: -1.210 local terms energy: -310.424746 where: bonds (distance) C4'-P energy: -54.778 bonds (distance) P-C4' energy: -59.994 flat angles C4'-P-C4' energy: -67.224 flat angles P-C4'-P energy: -37.579 tors. eta vs tors. theta energy: -90.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -813.894209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.894209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.894209 (E_RNA) where: Base-Base interactions energy: -526.306 where: short stacking energy: -248.646 Base-Backbone interact. energy: -1.048 local terms energy: -286.539435 where: bonds (distance) C4'-P energy: -49.827 bonds (distance) P-C4' energy: -64.943 flat angles C4'-P-C4' energy: -64.951 flat angles P-C4'-P energy: -38.229 tors. eta vs tors. theta energy: -68.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -724.179183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.179183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.179183 (E_RNA) where: Base-Base interactions energy: -467.438 where: short stacking energy: -204.421 Base-Backbone interact. energy: 0.121 local terms energy: -256.862561 where: bonds (distance) C4'-P energy: -53.015 bonds (distance) P-C4' energy: -58.357 flat angles C4'-P-C4' energy: -54.648 flat angles P-C4'-P energy: -40.682 tors. eta vs tors. theta energy: -50.161 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: 6 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -647.881243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.881243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.881243 (E_RNA) where: Base-Base interactions energy: -397.357 where: short stacking energy: -189.756 Base-Backbone interact. energy: -2.211 local terms energy: -248.313862 where: bonds (distance) C4'-P energy: -55.260 bonds (distance) P-C4' energy: -54.060 flat angles C4'-P-C4' energy: -61.126 flat angles P-C4'-P energy: -42.044 tors. eta vs tors. theta energy: -35.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -524.666825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.666825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.666825 (E_RNA) where: Base-Base interactions energy: -305.767 where: short stacking energy: -145.903 Base-Backbone interact. energy: -1.059 local terms energy: -217.840900 where: bonds (distance) C4'-P energy: -55.540 bonds (distance) P-C4' energy: -59.017 flat angles C4'-P-C4' energy: -52.267 flat angles P-C4'-P energy: -29.921 tors. eta vs tors. theta energy: -21.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -493.395480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.395480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.395480 (E_RNA) where: Base-Base interactions energy: -296.052 where: short stacking energy: -138.498 Base-Backbone interact. energy: -0.727 local terms energy: -196.616577 where: bonds (distance) C4'-P energy: -56.327 bonds (distance) P-C4' energy: -45.399 flat angles C4'-P-C4' energy: -53.651 flat angles P-C4'-P energy: -25.550 tors. eta vs tors. theta energy: -15.689 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: 2 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -1148.744605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.744605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.744605 (E_RNA) where: Base-Base interactions energy: -783.966 where: short stacking energy: -339.351 Base-Backbone interact. energy: -0.323 local terms energy: -364.455037 where: bonds (distance) C4'-P energy: -67.268 bonds (distance) P-C4' energy: -63.248 flat angles C4'-P-C4' energy: -73.703 flat angles P-C4'-P energy: -56.256 tors. eta vs tors. theta energy: -103.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -1102.075725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.075725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.075725 (E_RNA) where: Base-Base interactions energy: -755.399 where: short stacking energy: -337.507 Base-Backbone interact. energy: 0.215 local terms energy: -346.891773 where: bonds (distance) C4'-P energy: -54.276 bonds (distance) P-C4' energy: -65.596 flat angles C4'-P-C4' energy: -79.093 flat angles P-C4'-P energy: -52.748 tors. eta vs tors. theta energy: -95.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -1047.586527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.586527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.586527 (E_RNA) where: Base-Base interactions energy: -708.537 where: short stacking energy: -315.255 Base-Backbone interact. energy: -1.032 local terms energy: -338.017368 where: bonds (distance) C4'-P energy: -60.389 bonds (distance) P-C4' energy: -65.515 flat angles C4'-P-C4' energy: -67.595 flat angles P-C4'-P energy: -56.070 tors. eta vs tors. theta energy: -88.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -1022.402119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.402119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.402119 (E_RNA) where: Base-Base interactions energy: -694.585 where: short stacking energy: -308.408 Base-Backbone interact. energy: -0.039 local terms energy: -327.777615 where: bonds (distance) C4'-P energy: -60.502 bonds (distance) P-C4' energy: -57.871 flat angles C4'-P-C4' energy: -66.205 flat angles P-C4'-P energy: -47.628 tors. eta vs tors. theta energy: -95.572 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: 234 Temperature: 1.100000 Total energy: -925.719907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.719907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.719907 (E_RNA) where: Base-Base interactions energy: -632.967 where: short stacking energy: -257.994 Base-Backbone interact. energy: -0.691 local terms energy: -292.061838 where: bonds (distance) C4'-P energy: -56.843 bonds (distance) P-C4' energy: -65.009 flat angles C4'-P-C4' energy: -56.828 flat angles P-C4'-P energy: -36.754 tors. eta vs tors. theta energy: -76.628 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: 6, replica: 8 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -811.057909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.057909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.057909 (E_RNA) where: Base-Base interactions energy: -535.256 where: short stacking energy: -253.050 Base-Backbone interact. energy: 1.891 local terms energy: -277.692503 where: bonds (distance) C4'-P energy: -51.608 bonds (distance) P-C4' energy: -49.391 flat angles C4'-P-C4' energy: -67.418 flat angles P-C4'-P energy: -40.770 tors. eta vs tors. theta energy: -68.506 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: 234 Temperature: 1.200000 Total energy: -746.663603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.663603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.663603 (E_RNA) where: Base-Base interactions energy: -464.931 where: short stacking energy: -230.470 Base-Backbone interact. energy: -0.765 local terms energy: -280.967671 where: bonds (distance) C4'-P energy: -61.115 bonds (distance) P-C4' energy: -58.614 flat angles C4'-P-C4' energy: -57.116 flat angles P-C4'-P energy: -40.603 tors. eta vs tors. theta energy: -63.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -599.010170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.010170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.010170 (E_RNA) where: Base-Base interactions energy: -379.036 where: short stacking energy: -181.013 Base-Backbone interact. energy: 0.337 local terms energy: -220.311649 where: bonds (distance) C4'-P energy: -53.383 bonds (distance) P-C4' energy: -36.438 flat angles C4'-P-C4' energy: -56.642 flat angles P-C4'-P energy: -39.681 tors. eta vs tors. theta energy: -34.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -529.190983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.190983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.190983 (E_RNA) where: Base-Base interactions energy: -320.455 where: short stacking energy: -151.125 Base-Backbone interact. energy: 0.394 local terms energy: -209.129676 where: bonds (distance) C4'-P energy: -52.554 bonds (distance) P-C4' energy: -51.353 flat angles C4'-P-C4' energy: -45.132 flat angles P-C4'-P energy: -33.438 tors. eta vs tors. theta energy: -26.653 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: 10 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -532.580757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.580757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.580757 (E_RNA) where: Base-Base interactions energy: -325.475 where: short stacking energy: -156.561 Base-Backbone interact. energy: 1.215 local terms energy: -208.320799 where: bonds (distance) C4'-P energy: -46.705 bonds (distance) P-C4' energy: -50.146 flat angles C4'-P-C4' energy: -51.502 flat angles P-C4'-P energy: -34.278 tors. eta vs tors. theta energy: -25.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -1131.284079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.284079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.284079 (E_RNA) where: Base-Base interactions energy: -767.452 where: short stacking energy: -351.310 Base-Backbone interact. energy: -1.497 local terms energy: -362.335344 where: bonds (distance) C4'-P energy: -63.743 bonds (distance) P-C4' energy: -63.149 flat angles C4'-P-C4' energy: -76.529 flat angles P-C4'-P energy: -53.048 tors. eta vs tors. theta energy: -105.866 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: 235 Temperature: 0.950000 Total energy: -1111.163936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.163936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.163936 (E_RNA) where: Base-Base interactions energy: -758.593 where: short stacking energy: -317.080 Base-Backbone interact. energy: -0.385 local terms energy: -352.186233 where: bonds (distance) C4'-P energy: -68.647 bonds (distance) P-C4' energy: -71.387 flat angles C4'-P-C4' energy: -70.298 flat angles P-C4'-P energy: -49.763 tors. eta vs tors. theta energy: -92.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -1060.742061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.742061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.742061 (E_RNA) where: Base-Base interactions energy: -731.744 where: short stacking energy: -328.903 Base-Backbone interact. energy: 1.493 local terms energy: -330.490927 where: bonds (distance) C4'-P energy: -64.710 bonds (distance) P-C4' energy: -52.845 flat angles C4'-P-C4' energy: -73.718 flat angles P-C4'-P energy: -49.051 tors. eta vs tors. theta energy: -90.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -1007.635145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.635145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.635145 (E_RNA) where: Base-Base interactions energy: -681.223 where: short stacking energy: -303.195 Base-Backbone interact. energy: -3.029 local terms energy: -323.383287 where: bonds (distance) C4'-P energy: -56.127 bonds (distance) P-C4' energy: -61.196 flat angles C4'-P-C4' energy: -66.531 flat angles P-C4'-P energy: -45.954 tors. eta vs tors. theta energy: -93.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -962.348321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.348321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.348321 (E_RNA) where: Base-Base interactions energy: -636.671 where: short stacking energy: -280.473 Base-Backbone interact. energy: -0.428 local terms energy: -325.249252 where: bonds (distance) C4'-P energy: -61.467 bonds (distance) P-C4' energy: -69.141 flat angles C4'-P-C4' energy: -64.766 flat angles P-C4'-P energy: -51.023 tors. eta vs tors. theta energy: -78.853 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: 8 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -814.161368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.161368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.161368 (E_RNA) where: Base-Base interactions energy: -551.148 where: short stacking energy: -257.261 Base-Backbone interact. energy: 0.870 local terms energy: -263.882907 where: bonds (distance) C4'-P energy: -55.238 bonds (distance) P-C4' energy: -54.171 flat angles C4'-P-C4' energy: -53.076 flat angles P-C4'-P energy: -36.573 tors. eta vs tors. theta energy: -64.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -700.916386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.916386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.916386 (E_RNA) where: Base-Base interactions energy: -456.519 where: short stacking energy: -215.517 Base-Backbone interact. energy: 0.536 local terms energy: -244.933042 where: bonds (distance) C4'-P energy: -50.862 bonds (distance) P-C4' energy: -62.101 flat angles C4'-P-C4' energy: -61.663 flat angles P-C4'-P energy: -28.479 tors. eta vs tors. theta energy: -41.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -582.517506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.517506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.517506 (E_RNA) where: Base-Base interactions energy: -354.341 where: short stacking energy: -187.099 Base-Backbone interact. energy: 2.272 local terms energy: -230.448537 where: bonds (distance) C4'-P energy: -49.432 bonds (distance) P-C4' energy: -54.626 flat angles C4'-P-C4' energy: -53.713 flat angles P-C4'-P energy: -38.694 tors. eta vs tors. theta energy: -33.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -612.380540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.380540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.380540 (E_RNA) where: Base-Base interactions energy: -386.344 where: short stacking energy: -177.884 Base-Backbone interact. energy: 2.259 local terms energy: -228.295486 where: bonds (distance) C4'-P energy: -50.772 bonds (distance) P-C4' energy: -49.723 flat angles C4'-P-C4' energy: -64.206 flat angles P-C4'-P energy: -37.209 tors. eta vs tors. theta energy: -26.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -489.174039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.174039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.174039 (E_RNA) where: Base-Base interactions energy: -299.533 where: short stacking energy: -129.180 Base-Backbone interact. energy: 0.859 local terms energy: -190.499838 where: bonds (distance) C4'-P energy: -51.142 bonds (distance) P-C4' energy: -45.254 flat angles C4'-P-C4' energy: -42.408 flat angles P-C4'-P energy: -35.673 tors. eta vs tors. theta energy: -16.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -1136.438615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.438615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.438615 (E_RNA) where: Base-Base interactions energy: -770.824 where: short stacking energy: -323.644 Base-Backbone interact. energy: -0.129 local terms energy: -365.485278 where: bonds (distance) C4'-P energy: -70.819 bonds (distance) P-C4' energy: -64.628 flat angles C4'-P-C4' energy: -72.072 flat angles P-C4'-P energy: -52.152 tors. eta vs tors. theta energy: -105.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -1119.760572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.760572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.760572 (E_RNA) where: Base-Base interactions energy: -781.443 where: short stacking energy: -338.911 Base-Backbone interact. energy: 0.825 local terms energy: -339.142356 where: bonds (distance) C4'-P energy: -62.109 bonds (distance) P-C4' energy: -66.325 flat angles C4'-P-C4' energy: -69.162 flat angles P-C4'-P energy: -42.746 tors. eta vs tors. theta energy: -98.801 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: 1 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -1008.830263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.830263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.830263 (E_RNA) where: Base-Base interactions energy: -692.907 where: short stacking energy: -299.787 Base-Backbone interact. energy: -2.226 local terms energy: -313.697400 where: bonds (distance) C4'-P energy: -60.982 bonds (distance) P-C4' energy: -58.237 flat angles C4'-P-C4' energy: -70.077 flat angles P-C4'-P energy: -48.194 tors. eta vs tors. theta energy: -76.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -1013.369208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.369208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.369208 (E_RNA) where: Base-Base interactions energy: -697.098 where: short stacking energy: -292.630 Base-Backbone interact. energy: 0.873 local terms energy: -317.144764 where: bonds (distance) C4'-P energy: -66.512 bonds (distance) P-C4' energy: -50.008 flat angles C4'-P-C4' energy: -71.794 flat angles P-C4'-P energy: -49.233 tors. eta vs tors. theta energy: -79.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -921.519730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.519730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.519730 (E_RNA) where: Base-Base interactions energy: -621.620 where: short stacking energy: -270.543 Base-Backbone interact. energy: -0.589 local terms energy: -299.310560 where: bonds (distance) C4'-P energy: -66.333 bonds (distance) P-C4' energy: -53.000 flat angles C4'-P-C4' energy: -59.512 flat angles P-C4'-P energy: -41.254 tors. eta vs tors. theta energy: -79.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -820.034577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.034577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.034577 (E_RNA) where: Base-Base interactions energy: -521.545 where: short stacking energy: -258.206 Base-Backbone interact. energy: -1.172 local terms energy: -297.317017 where: bonds (distance) C4'-P energy: -49.614 bonds (distance) P-C4' energy: -64.130 flat angles C4'-P-C4' energy: -67.504 flat angles P-C4'-P energy: -49.426 tors. eta vs tors. theta energy: -66.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -732.248017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.248017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.248017 (E_RNA) where: Base-Base interactions energy: -488.763 where: short stacking energy: -221.183 Base-Backbone interact. energy: -1.069 local terms energy: -242.415913 where: bonds (distance) C4'-P energy: -46.822 bonds (distance) P-C4' energy: -54.543 flat angles C4'-P-C4' energy: -61.260 flat angles P-C4'-P energy: -24.374 tors. eta vs tors. theta energy: -55.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -594.249531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.249531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.249531 (E_RNA) where: Base-Base interactions energy: -355.687 where: short stacking energy: -177.113 Base-Backbone interact. energy: 0.360 local terms energy: -238.922188 where: bonds (distance) C4'-P energy: -57.535 bonds (distance) P-C4' energy: -56.002 flat angles C4'-P-C4' energy: -60.270 flat angles P-C4'-P energy: -38.580 tors. eta vs tors. theta energy: -26.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -623.094495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.094495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.094495 (E_RNA) where: Base-Base interactions energy: -407.037 where: short stacking energy: -178.853 Base-Backbone interact. energy: -1.363 local terms energy: -214.694701 where: bonds (distance) C4'-P energy: -50.415 bonds (distance) P-C4' energy: -60.063 flat angles C4'-P-C4' energy: -46.785 flat angles P-C4'-P energy: -25.615 tors. eta vs tors. theta energy: -31.817 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: 236 Temperature: 1.350000 Total energy: -457.514959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.514959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.514959 (E_RNA) where: Base-Base interactions energy: -260.538 where: short stacking energy: -127.110 Base-Backbone interact. energy: 3.243 local terms energy: -200.220584 where: bonds (distance) C4'-P energy: -54.007 bonds (distance) P-C4' energy: -50.020 flat angles C4'-P-C4' energy: -62.689 flat angles P-C4'-P energy: -14.468 tors. eta vs tors. theta energy: -19.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -1128.385642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.385642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.385642 (E_RNA) where: Base-Base interactions energy: -783.188 where: short stacking energy: -341.629 Base-Backbone interact. energy: 0.247 local terms energy: -345.444659 where: bonds (distance) C4'-P energy: -67.753 bonds (distance) P-C4' energy: -50.807 flat angles C4'-P-C4' energy: -68.578 flat angles P-C4'-P energy: -52.960 tors. eta vs tors. theta energy: -105.346 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: 2, replica: 3 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -1101.193207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.193207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.193207 (E_RNA) where: Base-Base interactions energy: -745.982 where: short stacking energy: -329.503 Base-Backbone interact. energy: 0.636 local terms energy: -355.846524 where: bonds (distance) C4'-P energy: -60.371 bonds (distance) P-C4' energy: -71.221 flat angles C4'-P-C4' energy: -75.736 flat angles P-C4'-P energy: -51.173 tors. eta vs tors. theta energy: -97.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -1001.827746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.827746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.827746 (E_RNA) where: Base-Base interactions energy: -670.463 where: short stacking energy: -289.289 Base-Backbone interact. energy: 0.805 local terms energy: -332.169436 where: bonds (distance) C4'-P energy: -61.987 bonds (distance) P-C4' energy: -64.132 flat angles C4'-P-C4' energy: -67.181 flat angles P-C4'-P energy: -51.579 tors. eta vs tors. theta energy: -87.291 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: 5 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -995.537180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.537180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.537180 (E_RNA) where: Base-Base interactions energy: -673.381 where: short stacking energy: -309.731 Base-Backbone interact. energy: -0.885 local terms energy: -321.271491 where: bonds (distance) C4'-P energy: -53.385 bonds (distance) P-C4' energy: -67.844 flat angles C4'-P-C4' energy: -62.644 flat angles P-C4'-P energy: -49.697 tors. eta vs tors. theta energy: -87.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -908.480167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.480167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.480167 (E_RNA) where: Base-Base interactions energy: -618.316 where: short stacking energy: -269.677 Base-Backbone interact. energy: -1.546 local terms energy: -288.618203 where: bonds (distance) C4'-P energy: -62.680 bonds (distance) P-C4' energy: -49.923 flat angles C4'-P-C4' energy: -61.426 flat angles P-C4'-P energy: -47.095 tors. eta vs tors. theta energy: -67.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -778.298179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.298179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.298179 (E_RNA) where: Base-Base interactions energy: -494.928 where: short stacking energy: -217.819 Base-Backbone interact. energy: -0.351 local terms energy: -283.018821 where: bonds (distance) C4'-P energy: -46.080 bonds (distance) P-C4' energy: -57.964 flat angles C4'-P-C4' energy: -70.694 flat angles P-C4'-P energy: -37.710 tors. eta vs tors. theta energy: -70.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -724.749351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.749351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.749351 (E_RNA) where: Base-Base interactions energy: -443.540 where: short stacking energy: -195.334 Base-Backbone interact. energy: 1.526 local terms energy: -282.735957 where: bonds (distance) C4'-P energy: -61.103 bonds (distance) P-C4' energy: -57.258 flat angles C4'-P-C4' energy: -66.273 flat angles P-C4'-P energy: -40.695 tors. eta vs tors. theta energy: -57.407 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: 4 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -590.358081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.358081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.358081 (E_RNA) where: Base-Base interactions energy: -344.565 where: short stacking energy: -168.814 Base-Backbone interact. energy: -0.814 local terms energy: -244.979392 where: bonds (distance) C4'-P energy: -56.095 bonds (distance) P-C4' energy: -54.971 flat angles C4'-P-C4' energy: -62.898 flat angles P-C4'-P energy: -38.004 tors. eta vs tors. theta energy: -33.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -622.196564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.196564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.196564 (E_RNA) where: Base-Base interactions energy: -382.209 where: short stacking energy: -173.141 Base-Backbone interact. energy: -0.267 local terms energy: -239.721059 where: bonds (distance) C4'-P energy: -57.772 bonds (distance) P-C4' energy: -50.645 flat angles C4'-P-C4' energy: -51.583 flat angles P-C4'-P energy: -40.807 tors. eta vs tors. theta energy: -38.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -485.100905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.100905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.100905 (E_RNA) where: Base-Base interactions energy: -274.765 where: short stacking energy: -129.054 Base-Backbone interact. energy: -1.734 local terms energy: -208.600947 where: bonds (distance) C4'-P energy: -62.324 bonds (distance) P-C4' energy: -55.405 flat angles C4'-P-C4' energy: -43.393 flat angles P-C4'-P energy: -31.915 tors. eta vs tors. theta energy: -15.564 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: 2 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -1119.546678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.546678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.546678 (E_RNA) where: Base-Base interactions energy: -767.315 where: short stacking energy: -330.091 Base-Backbone interact. energy: -1.821 local terms energy: -350.410716 where: bonds (distance) C4'-P energy: -55.304 bonds (distance) P-C4' energy: -67.361 flat angles C4'-P-C4' energy: -72.179 flat angles P-C4'-P energy: -52.648 tors. eta vs tors. theta energy: -102.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -1108.889606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.889606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.889606 (E_RNA) where: Base-Base interactions energy: -755.478 where: short stacking energy: -328.079 Base-Backbone interact. energy: -1.052 local terms energy: -352.358879 where: bonds (distance) C4'-P energy: -69.153 bonds (distance) P-C4' energy: -63.917 flat angles C4'-P-C4' energy: -75.192 flat angles P-C4'-P energy: -50.453 tors. eta vs tors. theta energy: -93.643 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: 3, replica: 5 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -1032.024133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.024133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.024133 (E_RNA) where: Base-Base interactions energy: -706.782 where: short stacking energy: -311.108 Base-Backbone interact. energy: -0.674 local terms energy: -324.567603 where: bonds (distance) C4'-P energy: -57.295 bonds (distance) P-C4' energy: -47.947 flat angles C4'-P-C4' energy: -69.128 flat angles P-C4'-P energy: -50.979 tors. eta vs tors. theta energy: -99.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -988.745118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.745118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.745118 (E_RNA) where: Base-Base interactions energy: -660.140 where: short stacking energy: -291.253 Base-Backbone interact. energy: -1.227 local terms energy: -327.377378 where: bonds (distance) C4'-P energy: -53.541 bonds (distance) P-C4' energy: -61.212 flat angles C4'-P-C4' energy: -71.633 flat angles P-C4'-P energy: -52.069 tors. eta vs tors. theta energy: -88.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -917.025878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.025878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.025878 (E_RNA) where: Base-Base interactions energy: -626.374 where: short stacking energy: -272.470 Base-Backbone interact. energy: -1.587 local terms energy: -289.065005 where: bonds (distance) C4'-P energy: -56.706 bonds (distance) P-C4' energy: -69.623 flat angles C4'-P-C4' energy: -61.018 flat angles P-C4'-P energy: -32.097 tors. eta vs tors. theta energy: -69.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -833.844801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.844801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.844801 (E_RNA) where: Base-Base interactions energy: -555.223 where: short stacking energy: -251.509 Base-Backbone interact. energy: -1.842 local terms energy: -276.779347 where: bonds (distance) C4'-P energy: -50.875 bonds (distance) P-C4' energy: -54.190 flat angles C4'-P-C4' energy: -64.692 flat angles P-C4'-P energy: -39.707 tors. eta vs tors. theta energy: -67.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -746.282816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.282816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.282816 (E_RNA) where: Base-Base interactions energy: -493.516 where: short stacking energy: -227.846 Base-Backbone interact. energy: -1.148 local terms energy: -251.618382 where: bonds (distance) C4'-P energy: -47.077 bonds (distance) P-C4' energy: -57.785 flat angles C4'-P-C4' energy: -52.822 flat angles P-C4'-P energy: -38.180 tors. eta vs tors. theta energy: -55.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -593.823781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.823781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.823781 (E_RNA) where: Base-Base interactions energy: -373.330 where: short stacking energy: -167.952 Base-Backbone interact. energy: 1.141 local terms energy: -221.634554 where: bonds (distance) C4'-P energy: -58.165 bonds (distance) P-C4' energy: -51.002 flat angles C4'-P-C4' energy: -46.457 flat angles P-C4'-P energy: -29.205 tors. eta vs tors. theta energy: -36.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -582.276872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.276872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.276872 (E_RNA) where: Base-Base interactions energy: -356.082 where: short stacking energy: -168.042 Base-Backbone interact. energy: -1.345 local terms energy: -224.849212 where: bonds (distance) C4'-P energy: -53.153 bonds (distance) P-C4' energy: -50.595 flat angles C4'-P-C4' energy: -56.291 flat angles P-C4'-P energy: -36.686 tors. eta vs tors. theta energy: -28.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -492.679152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.679152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.679152 (E_RNA) where: Base-Base interactions energy: -289.204 where: short stacking energy: -125.497 Base-Backbone interact. energy: 0.832 local terms energy: -204.306798 where: bonds (distance) C4'-P energy: -40.750 bonds (distance) P-C4' energy: -63.983 flat angles C4'-P-C4' energy: -50.080 flat angles P-C4'-P energy: -27.623 tors. eta vs tors. theta energy: -21.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -1131.575909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.575909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.575909 (E_RNA) where: Base-Base interactions energy: -781.051 where: short stacking energy: -339.936 Base-Backbone interact. energy: -1.006 local terms energy: -349.518349 where: bonds (distance) C4'-P energy: -52.937 bonds (distance) P-C4' energy: -66.636 flat angles C4'-P-C4' energy: -66.280 flat angles P-C4'-P energy: -59.261 tors. eta vs tors. theta energy: -104.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -1115.171425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.171425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.171425 (E_RNA) where: Base-Base interactions energy: -759.780 where: short stacking energy: -334.210 Base-Backbone interact. energy: -0.948 local terms energy: -354.443800 where: bonds (distance) C4'-P energy: -65.001 bonds (distance) P-C4' energy: -62.956 flat angles C4'-P-C4' energy: -75.018 flat angles P-C4'-P energy: -54.586 tors. eta vs tors. theta energy: -96.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -1052.754032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.754032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.754032 (E_RNA) where: Base-Base interactions energy: -730.987 where: short stacking energy: -314.519 Base-Backbone interact. energy: -1.428 local terms energy: -320.339108 where: bonds (distance) C4'-P energy: -61.039 bonds (distance) P-C4' energy: -60.009 flat angles C4'-P-C4' energy: -71.424 flat angles P-C4'-P energy: -45.922 tors. eta vs tors. theta energy: -81.945 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: 1 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -963.440230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.440230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.440230 (E_RNA) where: Base-Base interactions energy: -645.708 where: short stacking energy: -288.864 Base-Backbone interact. energy: -0.286 local terms energy: -317.446501 where: bonds (distance) C4'-P energy: -67.260 bonds (distance) P-C4' energy: -52.991 flat angles C4'-P-C4' energy: -67.468 flat angles P-C4'-P energy: -43.807 tors. eta vs tors. theta energy: -85.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -932.044564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.044564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.044564 (E_RNA) where: Base-Base interactions energy: -629.181 where: short stacking energy: -271.601 Base-Backbone interact. energy: -0.244 local terms energy: -302.619630 where: bonds (distance) C4'-P energy: -58.531 bonds (distance) P-C4' energy: -62.494 flat angles C4'-P-C4' energy: -64.179 flat angles P-C4'-P energy: -39.042 tors. eta vs tors. theta energy: -78.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -798.898233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.898233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.898233 (E_RNA) where: Base-Base interactions energy: -520.400 where: short stacking energy: -233.260 Base-Backbone interact. energy: -0.940 local terms energy: -277.557423 where: bonds (distance) C4'-P energy: -54.779 bonds (distance) P-C4' energy: -59.254 flat angles C4'-P-C4' energy: -64.794 flat angles P-C4'-P energy: -41.759 tors. eta vs tors. theta energy: -56.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -786.575417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.575417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.575417 (E_RNA) where: Base-Base interactions energy: -521.511 where: short stacking energy: -238.746 Base-Backbone interact. energy: -0.246 local terms energy: -264.818448 where: bonds (distance) C4'-P energy: -49.518 bonds (distance) P-C4' energy: -54.299 flat angles C4'-P-C4' energy: -65.947 flat angles P-C4'-P energy: -39.171 tors. eta vs tors. theta energy: -55.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -605.739304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.739304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.739304 (E_RNA) where: Base-Base interactions energy: -365.253 where: short stacking energy: -170.746 Base-Backbone interact. energy: -2.267 local terms energy: -238.219510 where: bonds (distance) C4'-P energy: -56.753 bonds (distance) P-C4' energy: -55.736 flat angles C4'-P-C4' energy: -59.481 flat angles P-C4'-P energy: -40.275 tors. eta vs tors. theta energy: -25.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -576.817035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.817035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.817035 (E_RNA) where: Base-Base interactions energy: -355.519 where: short stacking energy: -175.688 Base-Backbone interact. energy: -0.248 local terms energy: -221.049670 where: bonds (distance) C4'-P energy: -39.211 bonds (distance) P-C4' energy: -53.230 flat angles C4'-P-C4' energy: -52.624 flat angles P-C4'-P energy: -32.942 tors. eta vs tors. theta energy: -43.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -492.206000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.206000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.206000 (E_RNA) where: Base-Base interactions energy: -275.793 where: short stacking energy: -132.700 Base-Backbone interact. energy: 0.423 local terms energy: -216.835791 where: bonds (distance) C4'-P energy: -56.740 bonds (distance) P-C4' energy: -50.169 flat angles C4'-P-C4' energy: -54.333 flat angles P-C4'-P energy: -34.656 tors. eta vs tors. theta energy: -20.937 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: 1, replica: 2 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -1128.951528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.951528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.951528 (E_RNA) where: Base-Base interactions energy: -768.299 where: short stacking energy: -334.974 Base-Backbone interact. energy: -1.566 local terms energy: -359.087052 where: bonds (distance) C4'-P energy: -67.767 bonds (distance) P-C4' energy: -69.825 flat angles C4'-P-C4' energy: -70.140 flat angles P-C4'-P energy: -50.184 tors. eta vs tors. theta energy: -101.171 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: 2, replica: 3 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -1119.070795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.070795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.070795 (E_RNA) where: Base-Base interactions energy: -771.711 where: short stacking energy: -338.843 Base-Backbone interact. energy: -0.744 local terms energy: -346.615737 where: bonds (distance) C4'-P energy: -59.830 bonds (distance) P-C4' energy: -67.228 flat angles C4'-P-C4' energy: -71.437 flat angles P-C4'-P energy: -47.942 tors. eta vs tors. theta energy: -100.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -1040.429323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.429323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.429323 (E_RNA) where: Base-Base interactions energy: -703.993 where: short stacking energy: -308.294 Base-Backbone interact. energy: -1.290 local terms energy: -335.145572 where: bonds (distance) C4'-P energy: -62.718 bonds (distance) P-C4' energy: -63.800 flat angles C4'-P-C4' energy: -72.483 flat angles P-C4'-P energy: -47.827 tors. eta vs tors. theta energy: -88.319 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: 1 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -988.180684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.180684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.180684 (E_RNA) where: Base-Base interactions energy: -684.493 where: short stacking energy: -287.762 Base-Backbone interact. energy: -0.642 local terms energy: -303.045730 where: bonds (distance) C4'-P energy: -53.751 bonds (distance) P-C4' energy: -57.217 flat angles C4'-P-C4' energy: -70.678 flat angles P-C4'-P energy: -37.783 tors. eta vs tors. theta energy: -83.616 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: 8 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -811.825262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.825262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.825262 (E_RNA) where: Base-Base interactions energy: -534.528 where: short stacking energy: -238.435 Base-Backbone interact. energy: -2.212 local terms energy: -275.085584 where: bonds (distance) C4'-P energy: -46.642 bonds (distance) P-C4' energy: -60.648 flat angles C4'-P-C4' energy: -66.301 flat angles P-C4'-P energy: -38.467 tors. eta vs tors. theta energy: -63.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -866.160180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.160180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.160180 (E_RNA) where: Base-Base interactions energy: -593.112 where: short stacking energy: -258.683 Base-Backbone interact. energy: -2.117 local terms energy: -270.931732 where: bonds (distance) C4'-P energy: -57.474 bonds (distance) P-C4' energy: -54.835 flat angles C4'-P-C4' energy: -60.306 flat angles P-C4'-P energy: -37.183 tors. eta vs tors. theta energy: -61.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -764.167593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.167593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.167593 (E_RNA) where: Base-Base interactions energy: -494.291 where: short stacking energy: -207.360 Base-Backbone interact. energy: 1.540 local terms energy: -271.416779 where: bonds (distance) C4'-P energy: -60.617 bonds (distance) P-C4' energy: -52.696 flat angles C4'-P-C4' energy: -62.784 flat angles P-C4'-P energy: -32.408 tors. eta vs tors. theta energy: -62.912 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: 6 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -620.954975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.954975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.954975 (E_RNA) where: Base-Base interactions energy: -394.229 where: short stacking energy: -169.299 Base-Backbone interact. energy: 1.335 local terms energy: -228.060299 where: bonds (distance) C4'-P energy: -58.807 bonds (distance) P-C4' energy: -51.154 flat angles C4'-P-C4' energy: -50.732 flat angles P-C4'-P energy: -32.952 tors. eta vs tors. theta energy: -34.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -594.643586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.643586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.643586 (E_RNA) where: Base-Base interactions energy: -365.139 where: short stacking energy: -160.045 Base-Backbone interact. energy: -0.320 local terms energy: -229.185189 where: bonds (distance) C4'-P energy: -51.582 bonds (distance) P-C4' energy: -53.103 flat angles C4'-P-C4' energy: -59.126 flat angles P-C4'-P energy: -36.115 tors. eta vs tors. theta energy: -29.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -481.981676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.981676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.981676 (E_RNA) where: Base-Base interactions energy: -283.219 where: short stacking energy: -122.668 Base-Backbone interact. energy: -2.120 local terms energy: -196.642754 where: bonds (distance) C4'-P energy: -49.698 bonds (distance) P-C4' energy: -55.252 flat angles C4'-P-C4' energy: -56.089 flat angles P-C4'-P energy: -19.877 tors. eta vs tors. theta energy: -15.726 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: 2 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -1130.484993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.484993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.484993 (E_RNA) where: Base-Base interactions energy: -769.838 where: short stacking energy: -335.957 Base-Backbone interact. energy: -0.630 local terms energy: -360.016636 where: bonds (distance) C4'-P energy: -67.857 bonds (distance) P-C4' energy: -60.587 flat angles C4'-P-C4' energy: -73.247 flat angles P-C4'-P energy: -57.129 tors. eta vs tors. theta energy: -101.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -1104.617956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.617956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.617956 (E_RNA) where: Base-Base interactions energy: -764.418 where: short stacking energy: -324.866 Base-Backbone interact. energy: -0.207 local terms energy: -339.993093 where: bonds (distance) C4'-P energy: -68.168 bonds (distance) P-C4' energy: -57.080 flat angles C4'-P-C4' energy: -75.264 flat angles P-C4'-P energy: -39.855 tors. eta vs tors. theta energy: -99.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -1047.369469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.369469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.369469 (E_RNA) where: Base-Base interactions energy: -718.503 where: short stacking energy: -328.945 Base-Backbone interact. energy: -0.098 local terms energy: -328.768314 where: bonds (distance) C4'-P energy: -66.119 bonds (distance) P-C4' energy: -54.540 flat angles C4'-P-C4' energy: -75.791 flat angles P-C4'-P energy: -41.134 tors. eta vs tors. theta energy: -91.185 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: 1 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -968.865557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.865557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.865557 (E_RNA) where: Base-Base interactions energy: -643.134 where: short stacking energy: -284.960 Base-Backbone interact. energy: -0.483 local terms energy: -325.247936 where: bonds (distance) C4'-P energy: -52.018 bonds (distance) P-C4' energy: -64.455 flat angles C4'-P-C4' energy: -74.097 flat angles P-C4'-P energy: -51.131 tors. eta vs tors. theta energy: -83.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -842.694776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.694776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.694776 (E_RNA) where: Base-Base interactions energy: -557.686 where: short stacking energy: -243.971 Base-Backbone interact. energy: -1.267 local terms energy: -283.741633 where: bonds (distance) C4'-P energy: -60.883 bonds (distance) P-C4' energy: -59.009 flat angles C4'-P-C4' energy: -59.699 flat angles P-C4'-P energy: -42.851 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: 7 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -860.737460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.737460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.737460 (E_RNA) where: Base-Base interactions energy: -588.703 where: short stacking energy: -260.693 Base-Backbone interact. energy: -0.371 local terms energy: -271.663139 where: bonds (distance) C4'-P energy: -49.482 bonds (distance) P-C4' energy: -52.305 flat angles C4'-P-C4' energy: -62.023 flat angles P-C4'-P energy: -38.643 tors. eta vs tors. theta energy: -69.209 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: 9 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -757.787859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.787859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.787859 (E_RNA) where: Base-Base interactions energy: -497.165 where: short stacking energy: -236.320 Base-Backbone interact. energy: -0.598 local terms energy: -260.024446 where: bonds (distance) C4'-P energy: -52.499 bonds (distance) P-C4' energy: -61.124 flat angles C4'-P-C4' energy: -58.477 flat angles P-C4'-P energy: -30.822 tors. eta vs tors. theta energy: -57.102 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: 4 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -631.094683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.094683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.094683 (E_RNA) where: Base-Base interactions energy: -387.196 where: short stacking energy: -191.054 Base-Backbone interact. energy: 0.866 local terms energy: -244.764638 where: bonds (distance) C4'-P energy: -51.435 bonds (distance) P-C4' energy: -54.872 flat angles C4'-P-C4' energy: -55.980 flat angles P-C4'-P energy: -38.815 tors. eta vs tors. theta energy: -43.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -556.025488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.025488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.025488 (E_RNA) where: Base-Base interactions energy: -352.376 where: short stacking energy: -146.745 Base-Backbone interact. energy: -1.756 local terms energy: -201.894331 where: bonds (distance) C4'-P energy: -55.151 bonds (distance) P-C4' energy: -55.354 flat angles C4'-P-C4' energy: -39.984 flat angles P-C4'-P energy: -34.439 tors. eta vs tors. theta energy: -16.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -504.983064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.983064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.983064 (E_RNA) where: Base-Base interactions energy: -282.980 where: short stacking energy: -137.515 Base-Backbone interact. energy: -1.580 local terms energy: -220.422792 where: bonds (distance) C4'-P energy: -48.264 bonds (distance) P-C4' energy: -63.975 flat angles C4'-P-C4' energy: -48.591 flat angles P-C4'-P energy: -32.829 tors. eta vs tors. theta energy: -26.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -1121.305157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.305157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.305157 (E_RNA) where: Base-Base interactions energy: -767.575 where: short stacking energy: -317.925 Base-Backbone interact. energy: -0.985 local terms energy: -352.745155 where: bonds (distance) C4'-P energy: -71.758 bonds (distance) P-C4' energy: -61.307 flat angles C4'-P-C4' energy: -75.458 flat angles P-C4'-P energy: -49.580 tors. eta vs tors. theta energy: -94.642 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: 2 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -1104.781416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.781416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.781416 (E_RNA) where: Base-Base interactions energy: -752.761 where: short stacking energy: -323.381 Base-Backbone interact. energy: -0.528 local terms energy: -351.493187 where: bonds (distance) C4'-P energy: -67.008 bonds (distance) P-C4' energy: -65.346 flat angles C4'-P-C4' energy: -72.183 flat angles P-C4'-P energy: -50.116 tors. eta vs tors. theta energy: -96.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -1068.259507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.259507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.259507 (E_RNA) where: Base-Base interactions energy: -740.168 where: short stacking energy: -324.005 Base-Backbone interact. energy: -2.273 local terms energy: -325.819083 where: bonds (distance) C4'-P energy: -48.331 bonds (distance) P-C4' energy: -58.153 flat angles C4'-P-C4' energy: -72.591 flat angles P-C4'-P energy: -51.308 tors. eta vs tors. theta energy: -95.436 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: 1 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -1004.380725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.380725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.380725 (E_RNA) where: Base-Base interactions energy: -686.534 where: short stacking energy: -302.598 Base-Backbone interact. energy: 0.641 local terms energy: -318.488585 where: bonds (distance) C4'-P energy: -56.991 bonds (distance) P-C4' energy: -58.287 flat angles C4'-P-C4' energy: -73.213 flat angles P-C4'-P energy: -36.651 tors. eta vs tors. theta energy: -93.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -848.214724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.214724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.214724 (E_RNA) where: Base-Base interactions energy: -569.037 where: short stacking energy: -260.790 Base-Backbone interact. energy: -0.560 local terms energy: -278.618123 where: bonds (distance) C4'-P energy: -55.645 bonds (distance) P-C4' energy: -55.032 flat angles C4'-P-C4' energy: -63.644 flat angles P-C4'-P energy: -42.572 tors. eta vs tors. theta energy: -61.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -873.625730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.625730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.625730 (E_RNA) where: Base-Base interactions energy: -593.516 where: short stacking energy: -254.018 Base-Backbone interact. energy: -3.141 local terms energy: -276.968773 where: bonds (distance) C4'-P energy: -62.944 bonds (distance) P-C4' energy: -49.661 flat angles C4'-P-C4' energy: -51.250 flat angles P-C4'-P energy: -43.721 tors. eta vs tors. theta energy: -69.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -705.063947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.063947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.063947 (E_RNA) where: Base-Base interactions energy: -454.740 where: short stacking energy: -226.610 Base-Backbone interact. energy: 1.601 local terms energy: -251.924482 where: bonds (distance) C4'-P energy: -47.739 bonds (distance) P-C4' energy: -43.936 flat angles C4'-P-C4' energy: -65.892 flat angles P-C4'-P energy: -36.373 tors. eta vs tors. theta energy: -57.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -624.569626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.569626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.569626 (E_RNA) where: Base-Base interactions energy: -386.101 where: short stacking energy: -193.596 Base-Backbone interact. energy: -1.062 local terms energy: -237.406508 where: bonds (distance) C4'-P energy: -50.114 bonds (distance) P-C4' energy: -59.031 flat angles C4'-P-C4' energy: -55.831 flat angles P-C4'-P energy: -35.520 tors. eta vs tors. theta energy: -36.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -574.197657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.197657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.197657 (E_RNA) where: Base-Base interactions energy: -360.353 where: short stacking energy: -164.949 Base-Backbone interact. energy: 0.380 local terms energy: -214.224229 where: bonds (distance) C4'-P energy: -41.719 bonds (distance) P-C4' energy: -64.489 flat angles C4'-P-C4' energy: -53.472 flat angles P-C4'-P energy: -35.756 tors. eta vs tors. theta energy: -18.787 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: 10 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -498.944062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.944062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.944062 (E_RNA) where: Base-Base interactions energy: -291.101 where: short stacking energy: -130.634 Base-Backbone interact. energy: -2.152 local terms energy: -205.691045 where: bonds (distance) C4'-P energy: -47.633 bonds (distance) P-C4' energy: -59.858 flat angles C4'-P-C4' energy: -53.019 flat angles P-C4'-P energy: -24.614 tors. eta vs tors. theta energy: -20.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -1105.329035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.329035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.329035 (E_RNA) where: Base-Base interactions energy: -766.375 where: short stacking energy: -330.523 Base-Backbone interact. energy: -0.040 local terms energy: -338.914635 where: bonds (distance) C4'-P energy: -56.890 bonds (distance) P-C4' energy: -63.536 flat angles C4'-P-C4' energy: -71.517 flat angles P-C4'-P energy: -43.871 tors. eta vs tors. theta energy: -103.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -1080.258376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.258376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.258376 (E_RNA) where: Base-Base interactions energy: -735.341 where: short stacking energy: -337.585 Base-Backbone interact. energy: -0.808 local terms energy: -344.109717 where: bonds (distance) C4'-P energy: -59.436 bonds (distance) P-C4' energy: -66.264 flat angles C4'-P-C4' energy: -72.542 flat angles P-C4'-P energy: -51.121 tors. eta vs tors. theta energy: -94.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -1062.781947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.781947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.781947 (E_RNA) where: Base-Base interactions energy: -728.331 where: short stacking energy: -308.711 Base-Backbone interact. energy: -0.044 local terms energy: -334.407499 where: bonds (distance) C4'-P energy: -52.547 bonds (distance) P-C4' energy: -62.845 flat angles C4'-P-C4' energy: -75.767 flat angles P-C4'-P energy: -49.262 tors. eta vs tors. theta energy: -93.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -996.883728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.883728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.883728 (E_RNA) where: Base-Base interactions energy: -670.814 where: short stacking energy: -300.842 Base-Backbone interact. energy: -1.489 local terms energy: -324.581077 where: bonds (distance) C4'-P energy: -63.251 bonds (distance) P-C4' energy: -61.523 flat angles C4'-P-C4' energy: -66.694 flat angles P-C4'-P energy: -42.381 tors. eta vs tors. theta energy: -90.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -845.137488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.137488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.137488 (E_RNA) where: Base-Base interactions energy: -552.886 where: short stacking energy: -246.366 Base-Backbone interact. energy: -0.877 local terms energy: -291.374132 where: bonds (distance) C4'-P energy: -60.430 bonds (distance) P-C4' energy: -52.680 flat angles C4'-P-C4' energy: -58.756 flat angles P-C4'-P energy: -43.690 tors. eta vs tors. theta energy: -75.819 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: 243 Temperature: 1.150000 Total energy: -882.669627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.669627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.669627 (E_RNA) where: Base-Base interactions energy: -601.519 where: short stacking energy: -254.186 Base-Backbone interact. energy: -2.055 local terms energy: -279.095070 where: bonds (distance) C4'-P energy: -48.476 bonds (distance) P-C4' energy: -61.951 flat angles C4'-P-C4' energy: -61.854 flat angles P-C4'-P energy: -35.966 tors. eta vs tors. theta energy: -70.847 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: 243 Temperature: 1.200000 Total energy: -680.612781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.612781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.612781 (E_RNA) where: Base-Base interactions energy: -430.441 where: short stacking energy: -196.020 Base-Backbone interact. energy: 0.023 local terms energy: -250.195188 where: bonds (distance) C4'-P energy: -50.900 bonds (distance) P-C4' energy: -62.661 flat angles C4'-P-C4' energy: -54.976 flat angles P-C4'-P energy: -41.166 tors. eta vs tors. theta energy: -40.492 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: 4 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -635.896733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.896733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.896733 (E_RNA) where: Base-Base interactions energy: -400.982 where: short stacking energy: -195.580 Base-Backbone interact. energy: -1.988 local terms energy: -232.927043 where: bonds (distance) C4'-P energy: -47.466 bonds (distance) P-C4' energy: -54.092 flat angles C4'-P-C4' energy: -57.690 flat angles P-C4'-P energy: -26.291 tors. eta vs tors. theta energy: -47.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -535.605058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.605058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.605058 (E_RNA) where: Base-Base interactions energy: -340.258 where: short stacking energy: -141.021 Base-Backbone interact. energy: -1.680 local terms energy: -193.667300 where: bonds (distance) C4'-P energy: -50.705 bonds (distance) P-C4' energy: -55.159 flat angles C4'-P-C4' energy: -48.401 flat angles P-C4'-P energy: -20.851 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: 243 Temperature: 1.350000 Total energy: -501.035488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.035488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.035488 (E_RNA) where: Base-Base interactions energy: -281.540 where: short stacking energy: -133.251 Base-Backbone interact. energy: -0.480 local terms energy: -219.015776 where: bonds (distance) C4'-P energy: -47.698 bonds (distance) P-C4' energy: -64.718 flat angles C4'-P-C4' energy: -51.646 flat angles P-C4'-P energy: -36.088 tors. eta vs tors. theta energy: -18.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -1125.368106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.368106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.368106 (E_RNA) where: Base-Base interactions energy: -772.283 where: short stacking energy: -343.700 Base-Backbone interact. energy: -0.148 local terms energy: -352.937484 where: bonds (distance) C4'-P energy: -59.927 bonds (distance) P-C4' energy: -71.397 flat angles C4'-P-C4' energy: -74.607 flat angles P-C4'-P energy: -46.799 tors. eta vs tors. theta energy: -100.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -1086.255756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.255756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.255756 (E_RNA) where: Base-Base interactions energy: -747.546 where: short stacking energy: -334.935 Base-Backbone interact. energy: 0.253 local terms energy: -338.962192 where: bonds (distance) C4'-P energy: -67.292 bonds (distance) P-C4' energy: -61.976 flat angles C4'-P-C4' energy: -68.882 flat angles P-C4'-P energy: -48.176 tors. eta vs tors. theta energy: -92.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -1108.328701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.328701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.328701 (E_RNA) where: Base-Base interactions energy: -770.984 where: short stacking energy: -332.765 Base-Backbone interact. energy: 1.087 local terms energy: -338.431765 where: bonds (distance) C4'-P energy: -58.966 bonds (distance) P-C4' energy: -61.901 flat angles C4'-P-C4' energy: -67.851 flat angles P-C4'-P energy: -51.677 tors. eta vs tors. theta energy: -98.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -1015.414021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.414021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.414021 (E_RNA) where: Base-Base interactions energy: -677.354 where: short stacking energy: -303.912 Base-Backbone interact. energy: -0.457 local terms energy: -337.603401 where: bonds (distance) C4'-P energy: -56.755 bonds (distance) P-C4' energy: -67.242 flat angles C4'-P-C4' energy: -69.575 flat angles P-C4'-P energy: -48.508 tors. eta vs tors. theta energy: -95.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -921.165761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.165761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.165761 (E_RNA) where: Base-Base interactions energy: -615.129 where: short stacking energy: -273.943 Base-Backbone interact. energy: 1.715 local terms energy: -307.751534 where: bonds (distance) C4'-P energy: -52.748 bonds (distance) P-C4' energy: -67.416 flat angles C4'-P-C4' energy: -64.888 flat angles P-C4'-P energy: -43.460 tors. eta vs tors. theta energy: -79.239 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: 6, replica: 8 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -832.254629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.254629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.254629 (E_RNA) where: Base-Base interactions energy: -553.297 where: short stacking energy: -241.388 Base-Backbone interact. energy: -0.374 local terms energy: -278.583810 where: bonds (distance) C4'-P energy: -61.275 bonds (distance) P-C4' energy: -46.482 flat angles C4'-P-C4' energy: -54.891 flat angles P-C4'-P energy: -45.385 tors. eta vs tors. theta energy: -70.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -751.982061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.982061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.982061 (E_RNA) where: Base-Base interactions energy: -509.155 where: short stacking energy: -227.471 Base-Backbone interact. energy: 0.599 local terms energy: -243.425341 where: bonds (distance) C4'-P energy: -60.656 bonds (distance) P-C4' energy: -49.991 flat angles C4'-P-C4' energy: -50.571 flat angles P-C4'-P energy: -25.131 tors. eta vs tors. theta energy: -57.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -612.378043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.378043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.378043 (E_RNA) where: Base-Base interactions energy: -412.448 where: short stacking energy: -164.546 Base-Backbone interact. energy: -0.718 local terms energy: -199.212366 where: bonds (distance) C4'-P energy: -45.254 bonds (distance) P-C4' energy: -46.276 flat angles C4'-P-C4' energy: -38.651 flat angles P-C4'-P energy: -31.794 tors. eta vs tors. theta energy: -37.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -510.882666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.882666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.882666 (E_RNA) where: Base-Base interactions energy: -274.776 where: short stacking energy: -141.903 Base-Backbone interact. energy: -1.202 local terms energy: -234.904859 where: bonds (distance) C4'-P energy: -59.380 bonds (distance) P-C4' energy: -48.710 flat angles C4'-P-C4' energy: -61.302 flat angles P-C4'-P energy: -37.854 tors. eta vs tors. theta energy: -27.659 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: 6 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -526.996029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.996029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.996029 (E_RNA) where: Base-Base interactions energy: -326.197 where: short stacking energy: -142.075 Base-Backbone interact. energy: -1.315 local terms energy: -199.484441 where: bonds (distance) C4'-P energy: -47.443 bonds (distance) P-C4' energy: -57.540 flat angles C4'-P-C4' energy: -43.890 flat angles P-C4'-P energy: -30.352 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: 1, replica: 3 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -1127.526555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.526555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.526555 (E_RNA) where: Base-Base interactions energy: -773.586 where: short stacking energy: -331.726 Base-Backbone interact. energy: -0.971 local terms energy: -352.969572 where: bonds (distance) C4'-P energy: -61.133 bonds (distance) P-C4' energy: -73.640 flat angles C4'-P-C4' energy: -68.086 flat angles P-C4'-P energy: -46.170 tors. eta vs tors. theta energy: -103.941 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: 5 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -1086.189049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.189049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.189049 (E_RNA) where: Base-Base interactions energy: -747.687 where: short stacking energy: -334.981 Base-Backbone interact. energy: 2.610 local terms energy: -341.112814 where: bonds (distance) C4'-P energy: -62.822 bonds (distance) P-C4' energy: -58.116 flat angles C4'-P-C4' energy: -72.829 flat angles P-C4'-P energy: -52.788 tors. eta vs tors. theta energy: -94.557 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: 2 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -1107.416386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.416386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.416386 (E_RNA) where: Base-Base interactions energy: -762.367 where: short stacking energy: -327.891 Base-Backbone interact. energy: 3.269 local terms energy: -348.318975 where: bonds (distance) C4'-P energy: -62.091 bonds (distance) P-C4' energy: -55.780 flat angles C4'-P-C4' energy: -78.811 flat angles P-C4'-P energy: -50.901 tors. eta vs tors. theta energy: -100.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -1023.246383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.246383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.246383 (E_RNA) where: Base-Base interactions energy: -677.062 where: short stacking energy: -300.618 Base-Backbone interact. energy: -1.045 local terms energy: -345.139232 where: bonds (distance) C4'-P energy: -61.690 bonds (distance) P-C4' energy: -62.905 flat angles C4'-P-C4' energy: -68.425 flat angles P-C4'-P energy: -53.878 tors. eta vs tors. theta energy: -98.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -885.677728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.677728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.677728 (E_RNA) where: Base-Base interactions energy: -604.148 where: short stacking energy: -237.955 Base-Backbone interact. energy: -0.757 local terms energy: -280.772351 where: bonds (distance) C4'-P energy: -59.106 bonds (distance) P-C4' energy: -59.906 flat angles C4'-P-C4' energy: -62.739 flat angles P-C4'-P energy: -35.262 tors. eta vs tors. theta energy: -63.760 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: 9 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -797.961585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.961585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.961585 (E_RNA) where: Base-Base interactions energy: -521.356 where: short stacking energy: -237.343 Base-Backbone interact. energy: -0.563 local terms energy: -276.042467 where: bonds (distance) C4'-P energy: -48.562 bonds (distance) P-C4' energy: -66.632 flat angles C4'-P-C4' energy: -56.676 flat angles P-C4'-P energy: -43.732 tors. eta vs tors. theta energy: -60.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -808.531160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.531160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.531160 (E_RNA) where: Base-Base interactions energy: -539.777 where: short stacking energy: -236.741 Base-Backbone interact. energy: -0.899 local terms energy: -267.855984 where: bonds (distance) C4'-P energy: -59.117 bonds (distance) P-C4' energy: -51.454 flat angles C4'-P-C4' energy: -61.249 flat angles P-C4'-P energy: -33.223 tors. eta vs tors. theta energy: -62.814 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: 8, replica: 4 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -620.719835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.719835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.719835 (E_RNA) where: Base-Base interactions energy: -394.259 where: short stacking energy: -178.358 Base-Backbone interact. energy: 1.854 local terms energy: -228.315578 where: bonds (distance) C4'-P energy: -37.082 bonds (distance) P-C4' energy: -59.200 flat angles C4'-P-C4' energy: -58.405 flat angles P-C4'-P energy: -37.441 tors. eta vs tors. theta energy: -36.187 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: 9, replica: 10 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -541.975630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.975630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.975630 (E_RNA) where: Base-Base interactions energy: -318.320 where: short stacking energy: -160.313 Base-Backbone interact. energy: -0.394 local terms energy: -223.261326 where: bonds (distance) C4'-P energy: -46.547 bonds (distance) P-C4' energy: -62.454 flat angles C4'-P-C4' energy: -54.147 flat angles P-C4'-P energy: -29.555 tors. eta vs tors. theta energy: -30.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -571.919595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.919595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.919595 (E_RNA) where: Base-Base interactions energy: -340.366 where: short stacking energy: -146.376 Base-Backbone interact. energy: -0.863 local terms energy: -230.689932 where: bonds (distance) C4'-P energy: -56.841 bonds (distance) P-C4' energy: -57.190 flat angles C4'-P-C4' energy: -47.033 flat angles P-C4'-P energy: -37.599 tors. eta vs tors. theta energy: -32.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -1123.966678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.966678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.966678 (E_RNA) where: Base-Base interactions energy: -779.985 where: short stacking energy: -341.081 Base-Backbone interact. energy: -1.194 local terms energy: -342.788309 where: bonds (distance) C4'-P energy: -57.960 bonds (distance) P-C4' energy: -51.406 flat angles C4'-P-C4' energy: -77.414 flat angles P-C4'-P energy: -53.939 tors. eta vs tors. theta energy: -102.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -1069.063427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.063427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.063427 (E_RNA) where: Base-Base interactions energy: -742.955 where: short stacking energy: -319.749 Base-Backbone interact. energy: 0.475 local terms energy: -326.582983 where: bonds (distance) C4'-P energy: -60.536 bonds (distance) P-C4' energy: -59.578 flat angles C4'-P-C4' energy: -62.851 flat angles P-C4'-P energy: -50.520 tors. eta vs tors. theta energy: -93.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -1106.885720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.885720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.885720 (E_RNA) where: Base-Base interactions energy: -752.884 where: short stacking energy: -338.527 Base-Backbone interact. energy: -0.377 local terms energy: -353.624500 where: bonds (distance) C4'-P energy: -65.630 bonds (distance) P-C4' energy: -61.548 flat angles C4'-P-C4' energy: -74.806 flat angles P-C4'-P energy: -44.555 tors. eta vs tors. theta energy: -107.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -1019.117458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.117458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.117458 (E_RNA) where: Base-Base interactions energy: -668.977 where: short stacking energy: -296.874 Base-Backbone interact. energy: -1.029 local terms energy: -349.111309 where: bonds (distance) C4'-P energy: -60.951 bonds (distance) P-C4' energy: -65.815 flat angles C4'-P-C4' energy: -73.425 flat angles P-C4'-P energy: -47.438 tors. eta vs tors. theta energy: -101.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -953.192633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.192633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.192633 (E_RNA) where: Base-Base interactions energy: -671.015 where: short stacking energy: -268.553 Base-Backbone interact. energy: 2.711 local terms energy: -284.888186 where: bonds (distance) C4'-P energy: -47.868 bonds (distance) P-C4' energy: -57.875 flat angles C4'-P-C4' energy: -62.085 flat angles P-C4'-P energy: -45.407 tors. eta vs tors. theta energy: -71.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -841.878257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.878257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.878257 (E_RNA) where: Base-Base interactions energy: -553.191 where: short stacking energy: -250.041 Base-Backbone interact. energy: 1.339 local terms energy: -290.025457 where: bonds (distance) C4'-P energy: -56.918 bonds (distance) P-C4' energy: -58.452 flat angles C4'-P-C4' energy: -66.525 flat angles P-C4'-P energy: -37.234 tors. eta vs tors. theta energy: -70.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -771.918868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.918868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.918868 (E_RNA) where: Base-Base interactions energy: -515.066 where: short stacking energy: -225.126 Base-Backbone interact. energy: -1.677 local terms energy: -255.175538 where: bonds (distance) C4'-P energy: -46.156 bonds (distance) P-C4' energy: -54.424 flat angles C4'-P-C4' energy: -54.769 flat angles P-C4'-P energy: -40.919 tors. eta vs tors. theta energy: -58.909 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: 4 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -597.583768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.583768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.583768 (E_RNA) where: Base-Base interactions energy: -363.242 where: short stacking energy: -167.939 Base-Backbone interact. energy: -1.579 local terms energy: -232.763393 where: bonds (distance) C4'-P energy: -62.323 bonds (distance) P-C4' energy: -40.551 flat angles C4'-P-C4' energy: -62.362 flat angles P-C4'-P energy: -28.464 tors. eta vs tors. theta energy: -39.063 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: 10 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -580.019158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.019158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.019158 (E_RNA) where: Base-Base interactions energy: -368.526 where: short stacking energy: -174.461 Base-Backbone interact. energy: -0.311 local terms energy: -211.182123 where: bonds (distance) C4'-P energy: -49.933 bonds (distance) P-C4' energy: -44.871 flat angles C4'-P-C4' energy: -47.171 flat angles P-C4'-P energy: -36.529 tors. eta vs tors. theta energy: -32.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -552.201324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.201324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.201324 (E_RNA) where: Base-Base interactions energy: -348.070 where: short stacking energy: -170.564 Base-Backbone interact. energy: 3.945 local terms energy: -208.076049 where: bonds (distance) C4'-P energy: -48.166 bonds (distance) P-C4' energy: -54.359 flat angles C4'-P-C4' energy: -42.855 flat angles P-C4'-P energy: -38.499 tors. eta vs tors. theta energy: -24.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -1126.181810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.181810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.181810 (E_RNA) where: Base-Base interactions energy: -778.263 where: short stacking energy: -330.327 Base-Backbone interact. energy: -0.240 local terms energy: -347.679023 where: bonds (distance) C4'-P energy: -57.738 bonds (distance) P-C4' energy: -65.498 flat angles C4'-P-C4' energy: -81.119 flat angles P-C4'-P energy: -48.028 tors. eta vs tors. theta energy: -95.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -1122.863666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.863666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.863666 (E_RNA) where: Base-Base interactions energy: -770.839 where: short stacking energy: -343.282 Base-Backbone interact. energy: -1.162 local terms energy: -350.863282 where: bonds (distance) C4'-P energy: -58.159 bonds (distance) P-C4' energy: -65.287 flat angles C4'-P-C4' energy: -72.350 flat angles P-C4'-P energy: -47.425 tors. eta vs tors. theta energy: -107.644 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: 5 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -1044.011467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.011467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.011467 (E_RNA) where: Base-Base interactions energy: -722.744 where: short stacking energy: -317.203 Base-Backbone interact. energy: 0.403 local terms energy: -321.670288 where: bonds (distance) C4'-P energy: -60.861 bonds (distance) P-C4' energy: -57.502 flat angles C4'-P-C4' energy: -73.569 flat angles P-C4'-P energy: -41.505 tors. eta vs tors. theta energy: -88.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -1004.157461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.157461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.157461 (E_RNA) where: Base-Base interactions energy: -658.846 where: short stacking energy: -299.356 Base-Backbone interact. energy: -1.226 local terms energy: -344.085779 where: bonds (distance) C4'-P energy: -62.698 bonds (distance) P-C4' energy: -59.961 flat angles C4'-P-C4' energy: -69.616 flat angles P-C4'-P energy: -54.574 tors. eta vs tors. theta energy: -97.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -921.344674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.344674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.344674 (E_RNA) where: Base-Base interactions energy: -622.414 where: short stacking energy: -271.094 Base-Backbone interact. energy: 1.040 local terms energy: -299.970293 where: bonds (distance) C4'-P energy: -60.557 bonds (distance) P-C4' energy: -53.833 flat angles C4'-P-C4' energy: -74.033 flat angles P-C4'-P energy: -30.476 tors. eta vs tors. theta energy: -81.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -816.327834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.327834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.327834 (E_RNA) where: Base-Base interactions energy: -522.945 where: short stacking energy: -238.591 Base-Backbone interact. energy: -1.673 local terms energy: -291.709967 where: bonds (distance) C4'-P energy: -58.101 bonds (distance) P-C4' energy: -58.899 flat angles C4'-P-C4' energy: -65.063 flat angles P-C4'-P energy: -43.537 tors. eta vs tors. theta energy: -66.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -781.464943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.464943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.464943 (E_RNA) where: Base-Base interactions energy: -539.919 where: short stacking energy: -248.027 Base-Backbone interact. energy: 1.872 local terms energy: -243.417906 where: bonds (distance) C4'-P energy: -46.021 bonds (distance) P-C4' energy: -48.471 flat angles C4'-P-C4' energy: -54.014 flat angles P-C4'-P energy: -28.561 tors. eta vs tors. theta energy: -66.351 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: 8, replica: 10 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -621.594189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.594189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.594189 (E_RNA) where: Base-Base interactions energy: -391.710 where: short stacking energy: -199.006 Base-Backbone interact. energy: -2.760 local terms energy: -227.124510 where: bonds (distance) C4'-P energy: -59.883 bonds (distance) P-C4' energy: -33.587 flat angles C4'-P-C4' energy: -56.562 flat angles P-C4'-P energy: -39.267 tors. eta vs tors. theta energy: -37.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -587.799742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.799742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.799742 (E_RNA) where: Base-Base interactions energy: -373.834 where: short stacking energy: -179.951 Base-Backbone interact. energy: 0.148 local terms energy: -214.114035 where: bonds (distance) C4'-P energy: -53.819 bonds (distance) P-C4' energy: -46.215 flat angles C4'-P-C4' energy: -51.890 flat angles P-C4'-P energy: -22.992 tors. eta vs tors. theta energy: -39.198 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: 6 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -536.856379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.856379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.856379 (E_RNA) where: Base-Base interactions energy: -329.376 where: short stacking energy: -150.469 Base-Backbone interact. energy: -1.728 local terms energy: -205.752692 where: bonds (distance) C4'-P energy: -52.178 bonds (distance) P-C4' energy: -50.529 flat angles C4'-P-C4' energy: -41.299 flat angles P-C4'-P energy: -32.656 tors. eta vs tors. theta energy: -29.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -1147.799613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.799613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.799613 (E_RNA) where: Base-Base interactions energy: -772.491 where: short stacking energy: -354.655 Base-Backbone interact. energy: -0.736 local terms energy: -374.572870 where: bonds (distance) C4'-P energy: -70.049 bonds (distance) P-C4' energy: -63.101 flat angles C4'-P-C4' energy: -71.618 flat angles P-C4'-P energy: -55.823 tors. eta vs tors. theta energy: -113.982 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: 3 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -1118.960531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.960531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.960531 (E_RNA) where: Base-Base interactions energy: -780.186 where: short stacking energy: -320.483 Base-Backbone interact. energy: -0.544 local terms energy: -338.229769 where: bonds (distance) C4'-P energy: -59.271 bonds (distance) P-C4' energy: -68.307 flat angles C4'-P-C4' energy: -71.818 flat angles P-C4'-P energy: -45.025 tors. eta vs tors. theta energy: -93.809 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: 5 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -1055.986594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.986594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.986594 (E_RNA) where: Base-Base interactions energy: -717.811 where: short stacking energy: -333.743 Base-Backbone interact. energy: -2.744 local terms energy: -335.431931 where: bonds (distance) C4'-P energy: -63.953 bonds (distance) P-C4' energy: -57.037 flat angles C4'-P-C4' energy: -72.666 flat angles P-C4'-P energy: -47.226 tors. eta vs tors. theta energy: -94.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -981.676185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.676185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.676185 (E_RNA) where: Base-Base interactions energy: -671.212 where: short stacking energy: -283.657 Base-Backbone interact. energy: -1.627 local terms energy: -308.837183 where: bonds (distance) C4'-P energy: -60.066 bonds (distance) P-C4' energy: -58.488 flat angles C4'-P-C4' energy: -63.443 flat angles P-C4'-P energy: -42.089 tors. eta vs tors. theta energy: -84.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -894.846167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.846167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.846167 (E_RNA) where: Base-Base interactions energy: -604.347 where: short stacking energy: -241.819 Base-Backbone interact. energy: -0.337 local terms energy: -290.162123 where: bonds (distance) C4'-P energy: -54.408 bonds (distance) P-C4' energy: -60.743 flat angles C4'-P-C4' energy: -64.380 flat angles P-C4'-P energy: -40.413 tors. eta vs tors. theta energy: -70.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -855.327248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.327248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.327248 (E_RNA) where: Base-Base interactions energy: -575.309 where: short stacking energy: -251.374 Base-Backbone interact. energy: 0.196 local terms energy: -280.214810 where: bonds (distance) C4'-P energy: -52.945 bonds (distance) P-C4' energy: -61.060 flat angles C4'-P-C4' energy: -57.488 flat angles P-C4'-P energy: -41.985 tors. eta vs tors. theta energy: -66.736 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: 8 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -813.238960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.238960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.238960 (E_RNA) where: Base-Base interactions energy: -528.676 where: short stacking energy: -228.153 Base-Backbone interact. energy: -1.704 local terms energy: -282.858396 where: bonds (distance) C4'-P energy: -57.459 bonds (distance) P-C4' energy: -63.785 flat angles C4'-P-C4' energy: -66.131 flat angles P-C4'-P energy: -38.152 tors. eta vs tors. theta energy: -57.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -622.558884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.558884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.558884 (E_RNA) where: Base-Base interactions energy: -384.164 where: short stacking energy: -168.028 Base-Backbone interact. energy: -1.292 local terms energy: -237.102993 where: bonds (distance) C4'-P energy: -51.726 bonds (distance) P-C4' energy: -55.821 flat angles C4'-P-C4' energy: -52.620 flat angles P-C4'-P energy: -33.713 tors. eta vs tors. theta energy: -43.224 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: 4 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -589.159962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.159962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.159962 (E_RNA) where: Base-Base interactions energy: -351.441 where: short stacking energy: -164.567 Base-Backbone interact. energy: -0.414 local terms energy: -237.304183 where: bonds (distance) C4'-P energy: -55.296 bonds (distance) P-C4' energy: -54.206 flat angles C4'-P-C4' energy: -53.486 flat angles P-C4'-P energy: -34.806 tors. eta vs tors. theta energy: -39.511 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: 6 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -513.195503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.195503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.195503 (E_RNA) where: Base-Base interactions energy: -278.714 where: short stacking energy: -147.116 Base-Backbone interact. energy: 0.995 local terms energy: -235.476432 where: bonds (distance) C4'-P energy: -52.149 bonds (distance) P-C4' energy: -60.991 flat angles C4'-P-C4' energy: -54.659 flat angles P-C4'-P energy: -43.606 tors. eta vs tors. theta energy: -24.071 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: 2 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -1144.174004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.174004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.174004 (E_RNA) where: Base-Base interactions energy: -781.041 where: short stacking energy: -344.443 Base-Backbone interact. energy: -0.423 local terms energy: -362.709852 where: bonds (distance) C4'-P energy: -63.859 bonds (distance) P-C4' energy: -63.868 flat angles C4'-P-C4' energy: -74.668 flat angles P-C4'-P energy: -51.819 tors. eta vs tors. theta energy: -108.496 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: 3 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -1092.759196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.759196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.759196 (E_RNA) where: Base-Base interactions energy: -753.634 where: short stacking energy: -324.123 Base-Backbone interact. energy: 5.413 local terms energy: -344.538147 where: bonds (distance) C4'-P energy: -62.916 bonds (distance) P-C4' energy: -59.993 flat angles C4'-P-C4' energy: -76.943 flat angles P-C4'-P energy: -48.982 tors. eta vs tors. theta energy: -95.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -1025.180861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.180861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.180861 (E_RNA) where: Base-Base interactions energy: -701.599 where: short stacking energy: -303.868 Base-Backbone interact. energy: -0.723 local terms energy: -322.859145 where: bonds (distance) C4'-P energy: -64.265 bonds (distance) P-C4' energy: -58.900 flat angles C4'-P-C4' energy: -66.438 flat angles P-C4'-P energy: -49.345 tors. eta vs tors. theta energy: -83.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -995.524019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.524019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.524019 (E_RNA) where: Base-Base interactions energy: -681.936 where: short stacking energy: -299.505 Base-Backbone interact. energy: -3.183 local terms energy: -310.404965 where: bonds (distance) C4'-P energy: -51.283 bonds (distance) P-C4' energy: -46.929 flat angles C4'-P-C4' energy: -73.394 flat angles P-C4'-P energy: -50.021 tors. eta vs tors. theta energy: -88.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -917.264155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.264155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.264155 (E_RNA) where: Base-Base interactions energy: -624.746 where: short stacking energy: -260.075 Base-Backbone interact. energy: -0.023 local terms energy: -292.494563 where: bonds (distance) C4'-P energy: -57.095 bonds (distance) P-C4' energy: -63.977 flat angles C4'-P-C4' energy: -54.451 flat angles P-C4'-P energy: -41.746 tors. eta vs tors. theta energy: -75.225 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: 9 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -834.089641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.089641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.089641 (E_RNA) where: Base-Base interactions energy: -540.679 where: short stacking energy: -243.544 Base-Backbone interact. energy: -0.254 local terms energy: -293.156564 where: bonds (distance) C4'-P energy: -53.989 bonds (distance) P-C4' energy: -61.630 flat angles C4'-P-C4' energy: -61.190 flat angles P-C4'-P energy: -40.787 tors. eta vs tors. theta energy: -75.560 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: 8 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -753.381228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.381228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.381228 (E_RNA) where: Base-Base interactions energy: -510.093 where: short stacking energy: -223.944 Base-Backbone interact. energy: -3.427 local terms energy: -239.861037 where: bonds (distance) C4'-P energy: -44.008 bonds (distance) P-C4' energy: -58.618 flat angles C4'-P-C4' energy: -53.425 flat angles P-C4'-P energy: -29.193 tors. eta vs tors. theta energy: -54.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -651.802751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.802751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.802751 (E_RNA) where: Base-Base interactions energy: -397.242 where: short stacking energy: -202.923 Base-Backbone interact. energy: -1.012 local terms energy: -253.548756 where: bonds (distance) C4'-P energy: -54.049 bonds (distance) P-C4' energy: -56.589 flat angles C4'-P-C4' energy: -57.256 flat angles P-C4'-P energy: -34.338 tors. eta vs tors. theta energy: -51.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -585.823619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.823619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.823619 (E_RNA) where: Base-Base interactions energy: -329.534 where: short stacking energy: -164.328 Base-Backbone interact. energy: 7.787 local terms energy: -264.076311 where: bonds (distance) C4'-P energy: -60.379 bonds (distance) P-C4' energy: -63.761 flat angles C4'-P-C4' energy: -62.039 flat angles P-C4'-P energy: -28.416 tors. eta vs tors. theta energy: -49.482 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: 6 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -517.390665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.390665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.390665 (E_RNA) where: Base-Base interactions energy: -315.555 where: short stacking energy: -158.687 Base-Backbone interact. energy: 1.365 local terms energy: -203.200237 where: bonds (distance) C4'-P energy: -46.807 bonds (distance) P-C4' energy: -46.094 flat angles C4'-P-C4' energy: -51.685 flat angles P-C4'-P energy: -32.177 tors. eta vs tors. theta energy: -26.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -1152.181892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.181892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.181892 (E_RNA) where: Base-Base interactions energy: -792.170 where: short stacking energy: -346.068 Base-Backbone interact. energy: 1.256 local terms energy: -361.267313 where: bonds (distance) C4'-P energy: -67.406 bonds (distance) P-C4' energy: -60.946 flat angles C4'-P-C4' energy: -77.760 flat angles P-C4'-P energy: -49.611 tors. eta vs tors. theta energy: -105.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -1094.645723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.645723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.645723 (E_RNA) where: Base-Base interactions energy: -756.290 where: short stacking energy: -313.124 Base-Backbone interact. energy: -0.696 local terms energy: -337.660381 where: bonds (distance) C4'-P energy: -59.596 bonds (distance) P-C4' energy: -64.075 flat angles C4'-P-C4' energy: -72.781 flat angles P-C4'-P energy: -41.612 tors. eta vs tors. theta energy: -99.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -1045.396627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.396627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.396627 (E_RNA) where: Base-Base interactions energy: -726.295 where: short stacking energy: -313.148 Base-Backbone interact. energy: 0.366 local terms energy: -319.466674 where: bonds (distance) C4'-P energy: -55.269 bonds (distance) P-C4' energy: -60.935 flat angles C4'-P-C4' energy: -72.487 flat angles P-C4'-P energy: -45.138 tors. eta vs tors. theta energy: -85.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -959.143604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.143604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.143604 (E_RNA) where: Base-Base interactions energy: -663.170 where: short stacking energy: -283.449 Base-Backbone interact. energy: -1.112 local terms energy: -294.861534 where: bonds (distance) C4'-P energy: -48.601 bonds (distance) P-C4' energy: -60.607 flat angles C4'-P-C4' energy: -70.001 flat angles P-C4'-P energy: -29.660 tors. eta vs tors. theta energy: -85.993 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: 5, replica: 7 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -940.217542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.217542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.217542 (E_RNA) where: Base-Base interactions energy: -639.494 where: short stacking energy: -289.384 Base-Backbone interact. energy: -2.374 local terms energy: -298.349304 where: bonds (distance) C4'-P energy: -65.419 bonds (distance) P-C4' energy: -52.431 flat angles C4'-P-C4' energy: -64.363 flat angles P-C4'-P energy: -39.361 tors. eta vs tors. theta energy: -76.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -823.072255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.072255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.072255 (E_RNA) where: Base-Base interactions energy: -552.583 where: short stacking energy: -252.437 Base-Backbone interact. energy: -0.867 local terms energy: -269.621848 where: bonds (distance) C4'-P energy: -54.727 bonds (distance) P-C4' energy: -55.212 flat angles C4'-P-C4' energy: -60.842 flat angles P-C4'-P energy: -30.171 tors. eta vs tors. theta energy: -68.670 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: 7, replica: 8 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -772.968852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.968852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.968852 (E_RNA) where: Base-Base interactions energy: -509.616 where: short stacking energy: -241.709 Base-Backbone interact. energy: -3.217 local terms energy: -260.135789 where: bonds (distance) C4'-P energy: -53.425 bonds (distance) P-C4' energy: -53.326 flat angles C4'-P-C4' energy: -63.346 flat angles P-C4'-P energy: -40.506 tors. eta vs tors. theta energy: -49.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -649.920819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.920819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.920819 (E_RNA) where: Base-Base interactions energy: -401.200 where: short stacking energy: -198.855 Base-Backbone interact. energy: 0.989 local terms energy: -249.709599 where: bonds (distance) C4'-P energy: -48.617 bonds (distance) P-C4' energy: -57.070 flat angles C4'-P-C4' energy: -60.165 flat angles P-C4'-P energy: -39.888 tors. eta vs tors. theta energy: -43.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -602.682442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.682442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.682442 (E_RNA) where: Base-Base interactions energy: -377.344 where: short stacking energy: -174.504 Base-Backbone interact. energy: -1.587 local terms energy: -223.751287 where: bonds (distance) C4'-P energy: -55.052 bonds (distance) P-C4' energy: -50.544 flat angles C4'-P-C4' energy: -44.985 flat angles P-C4'-P energy: -31.319 tors. eta vs tors. theta energy: -41.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -519.900748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.900748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.900748 (E_RNA) where: Base-Base interactions energy: -290.004 where: short stacking energy: -145.655 Base-Backbone interact. energy: 0.382 local terms energy: -230.279352 where: bonds (distance) C4'-P energy: -48.983 bonds (distance) P-C4' energy: -59.390 flat angles C4'-P-C4' energy: -58.776 flat angles P-C4'-P energy: -34.980 tors. eta vs tors. theta energy: -28.150 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: 2 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -1152.638760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.638760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.638760 (E_RNA) where: Base-Base interactions energy: -798.257 where: short stacking energy: -338.678 Base-Backbone interact. energy: -0.464 local terms energy: -353.918077 where: bonds (distance) C4'-P energy: -62.667 bonds (distance) P-C4' energy: -59.704 flat angles C4'-P-C4' energy: -72.147 flat angles P-C4'-P energy: -50.542 tors. eta vs tors. theta energy: -108.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -1099.341197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.341197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.341197 (E_RNA) where: Base-Base interactions energy: -766.071 where: short stacking energy: -317.358 Base-Backbone interact. energy: -0.956 local terms energy: -332.314112 where: bonds (distance) C4'-P energy: -54.908 bonds (distance) P-C4' energy: -68.386 flat angles C4'-P-C4' energy: -66.194 flat angles P-C4'-P energy: -44.005 tors. eta vs tors. theta energy: -98.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -1046.494989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.494989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.494989 (E_RNA) where: Base-Base interactions energy: -728.725 where: short stacking energy: -302.997 Base-Backbone interact. energy: 2.626 local terms energy: -320.396337 where: bonds (distance) C4'-P energy: -50.878 bonds (distance) P-C4' energy: -72.843 flat angles C4'-P-C4' energy: -66.578 flat angles P-C4'-P energy: -50.096 tors. eta vs tors. theta energy: -80.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -988.407900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.407900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.407900 (E_RNA) where: Base-Base interactions energy: -678.092 where: short stacking energy: -315.112 Base-Backbone interact. energy: -2.246 local terms energy: -308.069199 where: bonds (distance) C4'-P energy: -54.064 bonds (distance) P-C4' energy: -49.958 flat angles C4'-P-C4' energy: -63.522 flat angles P-C4'-P energy: -44.369 tors. eta vs tors. theta energy: -96.156 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: 7 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -939.212056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.212056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.212056 (E_RNA) where: Base-Base interactions energy: -652.547 where: short stacking energy: -272.391 Base-Backbone interact. energy: -1.685 local terms energy: -284.980741 where: bonds (distance) C4'-P energy: -52.131 bonds (distance) P-C4' energy: -62.698 flat angles C4'-P-C4' energy: -59.981 flat angles P-C4'-P energy: -36.768 tors. eta vs tors. theta energy: -73.402 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: 6, replica: 9 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -793.208032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.208032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.208032 (E_RNA) where: Base-Base interactions energy: -549.998 where: short stacking energy: -230.877 Base-Backbone interact. energy: -0.657 local terms energy: -242.552864 where: bonds (distance) C4'-P energy: -44.472 bonds (distance) P-C4' energy: -44.478 flat angles C4'-P-C4' energy: -57.766 flat angles P-C4'-P energy: -38.779 tors. eta vs tors. theta energy: -57.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -729.563001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.563001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.563001 (E_RNA) where: Base-Base interactions energy: -465.543 where: short stacking energy: -211.597 Base-Backbone interact. energy: -1.379 local terms energy: -262.641725 where: bonds (distance) C4'-P energy: -57.735 bonds (distance) P-C4' energy: -62.278 flat angles C4'-P-C4' energy: -56.685 flat angles P-C4'-P energy: -33.905 tors. eta vs tors. theta energy: -52.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -648.343794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.343794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.343794 (E_RNA) where: Base-Base interactions energy: -397.429 where: short stacking energy: -175.640 Base-Backbone interact. energy: -0.478 local terms energy: -250.437186 where: bonds (distance) C4'-P energy: -58.201 bonds (distance) P-C4' energy: -62.083 flat angles C4'-P-C4' energy: -54.395 flat angles P-C4'-P energy: -36.794 tors. eta vs tors. theta energy: -38.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -610.204639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.204639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.204639 (E_RNA) where: Base-Base interactions energy: -368.786 where: short stacking energy: -176.802 Base-Backbone interact. energy: -0.566 local terms energy: -240.852729 where: bonds (distance) C4'-P energy: -60.988 bonds (distance) P-C4' energy: -57.673 flat angles C4'-P-C4' energy: -59.905 flat angles P-C4'-P energy: -26.184 tors. eta vs tors. theta energy: -36.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -533.035856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.035856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.035856 (E_RNA) where: Base-Base interactions energy: -319.965 where: short stacking energy: -169.344 Base-Backbone interact. energy: 4.665 local terms energy: -217.735713 where: bonds (distance) C4'-P energy: -57.335 bonds (distance) P-C4' energy: -66.078 flat angles C4'-P-C4' energy: -39.694 flat angles P-C4'-P energy: -29.664 tors. eta vs tors. theta energy: -24.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -1159.378300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.378300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.378300 (E_RNA) where: Base-Base interactions energy: -802.276 where: short stacking energy: -352.857 Base-Backbone interact. energy: 2.119 local terms energy: -359.221859 where: bonds (distance) C4'-P energy: -65.828 bonds (distance) P-C4' energy: -61.427 flat angles C4'-P-C4' energy: -69.426 flat angles P-C4'-P energy: -53.692 tors. eta vs tors. theta energy: -108.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -1091.918377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.918377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.918377 (E_RNA) where: Base-Base interactions energy: -757.736 where: short stacking energy: -317.720 Base-Backbone interact. energy: -0.634 local terms energy: -333.548212 where: bonds (distance) C4'-P energy: -54.807 bonds (distance) P-C4' energy: -64.431 flat angles C4'-P-C4' energy: -64.585 flat angles P-C4'-P energy: -56.050 tors. eta vs tors. theta energy: -93.676 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: 3, replica: 5 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -1041.708079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.708079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.708079 (E_RNA) where: Base-Base interactions energy: -726.757 where: short stacking energy: -316.210 Base-Backbone interact. energy: -2.425 local terms energy: -312.526535 where: bonds (distance) C4'-P energy: -53.437 bonds (distance) P-C4' energy: -60.991 flat angles C4'-P-C4' energy: -70.228 flat angles P-C4'-P energy: -40.955 tors. eta vs tors. theta energy: -86.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -1006.552100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.552100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.552100 (E_RNA) where: Base-Base interactions energy: -686.479 where: short stacking energy: -313.301 Base-Backbone interact. energy: -0.689 local terms energy: -319.383979 where: bonds (distance) C4'-P energy: -64.497 bonds (distance) P-C4' energy: -53.666 flat angles C4'-P-C4' energy: -69.457 flat angles P-C4'-P energy: -36.967 tors. eta vs tors. theta energy: -94.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -923.739121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.739121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.739121 (E_RNA) where: Base-Base interactions energy: -614.250 where: short stacking energy: -263.310 Base-Backbone interact. energy: -1.388 local terms energy: -308.101079 where: bonds (distance) C4'-P energy: -57.761 bonds (distance) P-C4' energy: -67.241 flat angles C4'-P-C4' energy: -64.673 flat angles P-C4'-P energy: -44.041 tors. eta vs tors. theta energy: -74.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -807.208129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.208129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.208129 (E_RNA) where: Base-Base interactions energy: -535.529 where: short stacking energy: -247.771 Base-Backbone interact. energy: -0.624 local terms energy: -271.055076 where: bonds (distance) C4'-P energy: -39.331 bonds (distance) P-C4' energy: -74.028 flat angles C4'-P-C4' energy: -56.749 flat angles P-C4'-P energy: -37.838 tors. eta vs tors. theta energy: -63.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -722.867111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.867111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.867111 (E_RNA) where: Base-Base interactions energy: -476.805 where: short stacking energy: -224.414 Base-Backbone interact. energy: 0.464 local terms energy: -246.526374 where: bonds (distance) C4'-P energy: -58.083 bonds (distance) P-C4' energy: -52.904 flat angles C4'-P-C4' energy: -58.107 flat angles P-C4'-P energy: -26.949 tors. eta vs tors. theta energy: -50.483 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: 8, replica: 4 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -634.005532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.005532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.005532 (E_RNA) where: Base-Base interactions energy: -387.264 where: short stacking energy: -174.934 Base-Backbone interact. energy: -0.285 local terms energy: -246.455865 where: bonds (distance) C4'-P energy: -58.721 bonds (distance) P-C4' energy: -55.954 flat angles C4'-P-C4' energy: -57.586 flat angles P-C4'-P energy: -35.175 tors. eta vs tors. theta energy: -39.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -542.695895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.695895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.695895 (E_RNA) where: Base-Base interactions energy: -321.898 where: short stacking energy: -161.589 Base-Backbone interact. energy: 0.646 local terms energy: -221.444494 where: bonds (distance) C4'-P energy: -46.599 bonds (distance) P-C4' energy: -55.546 flat angles C4'-P-C4' energy: -49.568 flat angles P-C4'-P energy: -39.134 tors. eta vs tors. theta energy: -30.598 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: 10 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -558.222233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.222233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.222233 (E_RNA) where: Base-Base interactions energy: -341.018 where: short stacking energy: -169.368 Base-Backbone interact. energy: -0.956 local terms energy: -216.248071 where: bonds (distance) C4'-P energy: -40.757 bonds (distance) P-C4' energy: -50.533 flat angles C4'-P-C4' energy: -47.834 flat angles P-C4'-P energy: -41.153 tors. eta vs tors. theta energy: -35.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -1164.769835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.769835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.769835 (E_RNA) where: Base-Base interactions energy: -807.630 where: short stacking energy: -351.801 Base-Backbone interact. energy: -1.144 local terms energy: -355.995861 where: bonds (distance) C4'-P energy: -65.636 bonds (distance) P-C4' energy: -64.508 flat angles C4'-P-C4' energy: -65.683 flat angles P-C4'-P energy: -52.038 tors. eta vs tors. theta energy: -108.131 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: 3 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -1096.199564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.199564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.199564 (E_RNA) where: Base-Base interactions energy: -759.933 where: short stacking energy: -319.260 Base-Backbone interact. energy: -0.575 local terms energy: -335.691361 where: bonds (distance) C4'-P energy: -55.594 bonds (distance) P-C4' energy: -70.285 flat angles C4'-P-C4' energy: -66.809 flat angles P-C4'-P energy: -42.861 tors. eta vs tors. theta energy: -100.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -1039.600479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.600479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.600479 (E_RNA) where: Base-Base interactions energy: -702.574 where: short stacking energy: -305.234 Base-Backbone interact. energy: -0.853 local terms energy: -336.173810 where: bonds (distance) C4'-P energy: -66.646 bonds (distance) P-C4' energy: -61.336 flat angles C4'-P-C4' energy: -72.380 flat angles P-C4'-P energy: -49.842 tors. eta vs tors. theta energy: -85.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -995.848064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.848064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.848064 (E_RNA) where: Base-Base interactions energy: -681.024 where: short stacking energy: -279.460 Base-Backbone interact. energy: -3.180 local terms energy: -311.643508 where: bonds (distance) C4'-P energy: -57.965 bonds (distance) P-C4' energy: -64.247 flat angles C4'-P-C4' energy: -56.113 flat angles P-C4'-P energy: -46.205 tors. eta vs tors. theta energy: -87.113 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: 253 Temperature: 1.100000 Total energy: -906.820372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.820372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.820372 (E_RNA) where: Base-Base interactions energy: -635.146 where: short stacking energy: -273.832 Base-Backbone interact. energy: 4.911 local terms energy: -276.585314 where: bonds (distance) C4'-P energy: -57.044 bonds (distance) P-C4' energy: -54.384 flat angles C4'-P-C4' energy: -65.753 flat angles P-C4'-P energy: -39.775 tors. eta vs tors. theta energy: -59.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -815.147810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.147810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.147810 (E_RNA) where: Base-Base interactions energy: -534.722 where: short stacking energy: -246.903 Base-Backbone interact. energy: -0.275 local terms energy: -280.150855 where: bonds (distance) C4'-P energy: -60.700 bonds (distance) P-C4' energy: -64.087 flat angles C4'-P-C4' energy: -55.910 flat angles P-C4'-P energy: -43.808 tors. eta vs tors. theta energy: -55.645 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: 8 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -738.073845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.073845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.073845 (E_RNA) where: Base-Base interactions energy: -491.695 where: short stacking energy: -218.230 Base-Backbone interact. energy: -0.760 local terms energy: -245.618581 where: bonds (distance) C4'-P energy: -48.392 bonds (distance) P-C4' energy: -53.007 flat angles C4'-P-C4' energy: -63.881 flat angles P-C4'-P energy: -32.269 tors. eta vs tors. theta energy: -48.070 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: 8, replica: 4 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -641.087144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.087144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.087144 (E_RNA) where: Base-Base interactions energy: -406.030 where: short stacking energy: -182.365 Base-Backbone interact. energy: 1.311 local terms energy: -236.368752 where: bonds (distance) C4'-P energy: -62.958 bonds (distance) P-C4' energy: -53.404 flat angles C4'-P-C4' energy: -51.315 flat angles P-C4'-P energy: -28.295 tors. eta vs tors. theta energy: -40.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -516.391564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.391564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.391564 (E_RNA) where: Base-Base interactions energy: -308.927 where: short stacking energy: -165.853 Base-Backbone interact. energy: 0.078 local terms energy: -207.542147 where: bonds (distance) C4'-P energy: -51.857 bonds (distance) P-C4' energy: -45.381 flat angles C4'-P-C4' energy: -57.567 flat angles P-C4'-P energy: -36.239 tors. eta vs tors. theta energy: -16.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -551.051110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.051110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.051110 (E_RNA) where: Base-Base interactions energy: -334.942 where: short stacking energy: -160.987 Base-Backbone interact. energy: -0.415 local terms energy: -215.694295 where: bonds (distance) C4'-P energy: -43.368 bonds (distance) P-C4' energy: -53.160 flat angles C4'-P-C4' energy: -48.917 flat angles P-C4'-P energy: -38.005 tors. eta vs tors. theta energy: -32.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -1170.439548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.439548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.439548 (E_RNA) where: Base-Base interactions energy: -814.275 where: short stacking energy: -361.543 Base-Backbone interact. energy: -0.255 local terms energy: -355.909019 where: bonds (distance) C4'-P energy: -58.088 bonds (distance) P-C4' energy: -61.460 flat angles C4'-P-C4' energy: -71.926 flat angles P-C4'-P energy: -59.272 tors. eta vs tors. theta energy: -105.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -1077.039039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.039039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.039039 (E_RNA) where: Base-Base interactions energy: -751.566 where: short stacking energy: -320.791 Base-Backbone interact. energy: 0.713 local terms energy: -326.185869 where: bonds (distance) C4'-P energy: -52.258 bonds (distance) P-C4' energy: -64.162 flat angles C4'-P-C4' energy: -69.944 flat angles P-C4'-P energy: -47.476 tors. eta vs tors. theta energy: -92.345 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: 5 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -1041.028639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.028639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.028639 (E_RNA) where: Base-Base interactions energy: -717.727 where: short stacking energy: -319.462 Base-Backbone interact. energy: 0.705 local terms energy: -324.006968 where: bonds (distance) C4'-P energy: -58.980 bonds (distance) P-C4' energy: -50.671 flat angles C4'-P-C4' energy: -69.120 flat angles P-C4'-P energy: -52.420 tors. eta vs tors. theta energy: -92.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -1032.801864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.801864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.801864 (E_RNA) where: Base-Base interactions energy: -689.757 where: short stacking energy: -296.685 Base-Backbone interact. energy: -0.783 local terms energy: -342.261847 where: bonds (distance) C4'-P energy: -60.196 bonds (distance) P-C4' energy: -65.118 flat angles C4'-P-C4' energy: -68.549 flat angles P-C4'-P energy: -54.582 tors. eta vs tors. theta energy: -93.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -901.737482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.737482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.737482 (E_RNA) where: Base-Base interactions energy: -613.890 where: short stacking energy: -256.285 Base-Backbone interact. energy: 4.307 local terms energy: -292.154794 where: bonds (distance) C4'-P energy: -59.178 bonds (distance) P-C4' energy: -62.114 flat angles C4'-P-C4' energy: -60.406 flat angles P-C4'-P energy: -42.305 tors. eta vs tors. theta energy: -68.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -842.135348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.135348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.135348 (E_RNA) where: Base-Base interactions energy: -561.804 where: short stacking energy: -264.146 Base-Backbone interact. energy: 1.589 local terms energy: -281.919813 where: bonds (distance) C4'-P energy: -50.324 bonds (distance) P-C4' energy: -55.545 flat angles C4'-P-C4' energy: -53.074 flat angles P-C4'-P energy: -46.354 tors. eta vs tors. theta energy: -76.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -742.346723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.346723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.346723 (E_RNA) where: Base-Base interactions energy: -475.472 where: short stacking energy: -215.493 Base-Backbone interact. energy: -0.572 local terms energy: -266.303355 where: bonds (distance) C4'-P energy: -44.054 bonds (distance) P-C4' energy: -57.996 flat angles C4'-P-C4' energy: -63.719 flat angles P-C4'-P energy: -44.289 tors. eta vs tors. theta energy: -56.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -661.480347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.480347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.480347 (E_RNA) where: Base-Base interactions energy: -411.399 where: short stacking energy: -192.948 Base-Backbone interact. energy: -0.740 local terms energy: -249.341494 where: bonds (distance) C4'-P energy: -46.467 bonds (distance) P-C4' energy: -57.281 flat angles C4'-P-C4' energy: -62.238 flat angles P-C4'-P energy: -33.427 tors. eta vs tors. theta energy: -49.929 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: 10 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -615.366162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.366162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.366162 (E_RNA) where: Base-Base interactions energy: -383.731 where: short stacking energy: -169.428 Base-Backbone interact. energy: -0.001 local terms energy: -231.633815 where: bonds (distance) C4'-P energy: -49.958 bonds (distance) P-C4' energy: -51.568 flat angles C4'-P-C4' energy: -57.115 flat angles P-C4'-P energy: -33.196 tors. eta vs tors. theta energy: -39.797 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: 6 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -507.075263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.075263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.075263 (E_RNA) where: Base-Base interactions energy: -314.643 where: short stacking energy: -157.236 Base-Backbone interact. energy: -0.307 local terms energy: -192.125713 where: bonds (distance) C4'-P energy: -49.826 bonds (distance) P-C4' energy: -57.923 flat angles C4'-P-C4' energy: -29.732 flat angles P-C4'-P energy: -35.488 tors. eta vs tors. theta energy: -19.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -1169.834030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.834030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.834030 (E_RNA) where: Base-Base interactions energy: -804.960 where: short stacking energy: -351.669 Base-Backbone interact. energy: -1.458 local terms energy: -363.416169 where: bonds (distance) C4'-P energy: -66.536 bonds (distance) P-C4' energy: -57.102 flat angles C4'-P-C4' energy: -77.107 flat angles P-C4'-P energy: -51.061 tors. eta vs tors. theta energy: -111.610 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: 3 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -1093.539690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.539690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.539690 (E_RNA) where: Base-Base interactions energy: -754.711 where: short stacking energy: -325.777 Base-Backbone interact. energy: -0.295 local terms energy: -338.534147 where: bonds (distance) C4'-P energy: -56.740 bonds (distance) P-C4' energy: -64.053 flat angles C4'-P-C4' energy: -75.406 flat angles P-C4'-P energy: -45.927 tors. eta vs tors. theta energy: -96.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -1036.375203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.375203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.375203 (E_RNA) where: Base-Base interactions energy: -720.847 where: short stacking energy: -310.280 Base-Backbone interact. energy: 3.363 local terms energy: -318.891176 where: bonds (distance) C4'-P energy: -60.933 bonds (distance) P-C4' energy: -58.510 flat angles C4'-P-C4' energy: -68.822 flat angles P-C4'-P energy: -43.602 tors. eta vs tors. theta energy: -87.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -1022.440804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.440804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.440804 (E_RNA) where: Base-Base interactions energy: -704.301 where: short stacking energy: -321.297 Base-Backbone interact. energy: -0.752 local terms energy: -317.387988 where: bonds (distance) C4'-P energy: -52.901 bonds (distance) P-C4' energy: -57.791 flat angles C4'-P-C4' energy: -68.435 flat angles P-C4'-P energy: -42.993 tors. eta vs tors. theta energy: -95.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -889.107999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.107999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.107999 (E_RNA) where: Base-Base interactions energy: -600.531 where: short stacking energy: -266.217 Base-Backbone interact. energy: -1.297 local terms energy: -287.279735 where: bonds (distance) C4'-P energy: -56.720 bonds (distance) P-C4' energy: -55.780 flat angles C4'-P-C4' energy: -66.378 flat angles P-C4'-P energy: -39.827 tors. eta vs tors. theta energy: -68.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -835.929863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.929863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.929863 (E_RNA) where: Base-Base interactions energy: -545.639 where: short stacking energy: -256.764 Base-Backbone interact. energy: -2.169 local terms energy: -288.121949 where: bonds (distance) C4'-P energy: -53.932 bonds (distance) P-C4' energy: -68.954 flat angles C4'-P-C4' energy: -55.650 flat angles P-C4'-P energy: -34.994 tors. eta vs tors. theta energy: -74.592 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: 8 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -750.556321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.556321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.556321 (E_RNA) where: Base-Base interactions energy: -476.475 where: short stacking energy: -231.033 Base-Backbone interact. energy: 4.164 local terms energy: -278.244834 where: bonds (distance) C4'-P energy: -60.810 bonds (distance) P-C4' energy: -67.375 flat angles C4'-P-C4' energy: -50.389 flat angles P-C4'-P energy: -44.395 tors. eta vs tors. theta energy: -55.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -657.373948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.373948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.373948 (E_RNA) where: Base-Base interactions energy: -417.271 where: short stacking energy: -208.862 Base-Backbone interact. energy: 4.359 local terms energy: -244.462096 where: bonds (distance) C4'-P energy: -57.958 bonds (distance) P-C4' energy: -56.404 flat angles C4'-P-C4' energy: -62.743 flat angles P-C4'-P energy: -29.954 tors. eta vs tors. theta energy: -37.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -611.892272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.892272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.892272 (E_RNA) where: Base-Base interactions energy: -385.351 where: short stacking energy: -183.884 Base-Backbone interact. energy: -1.180 local terms energy: -225.361428 where: bonds (distance) C4'-P energy: -55.108 bonds (distance) P-C4' energy: -50.984 flat angles C4'-P-C4' energy: -58.944 flat angles P-C4'-P energy: -17.917 tors. eta vs tors. theta energy: -42.408 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: 10, replica: 6 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -483.563827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.563827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.563827 (E_RNA) where: Base-Base interactions energy: -292.074 where: short stacking energy: -148.261 Base-Backbone interact. energy: -1.364 local terms energy: -190.125900 where: bonds (distance) C4'-P energy: -55.920 bonds (distance) P-C4' energy: -60.990 flat angles C4'-P-C4' energy: -38.056 flat angles P-C4'-P energy: -19.642 tors. eta vs tors. theta energy: -15.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -1173.969790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.969790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.969790 (E_RNA) where: Base-Base interactions energy: -798.758 where: short stacking energy: -350.129 Base-Backbone interact. energy: -0.663 local terms energy: -374.548318 where: bonds (distance) C4'-P energy: -64.315 bonds (distance) P-C4' energy: -63.254 flat angles C4'-P-C4' energy: -76.890 flat angles P-C4'-P energy: -56.650 tors. eta vs tors. theta energy: -113.440 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: 3 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -1097.792750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.792750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.792750 (E_RNA) where: Base-Base interactions energy: -736.149 where: short stacking energy: -322.862 Base-Backbone interact. energy: -0.758 local terms energy: -360.885739 where: bonds (distance) C4'-P energy: -71.344 bonds (distance) P-C4' energy: -71.082 flat angles C4'-P-C4' energy: -68.553 flat angles P-C4'-P energy: -51.676 tors. eta vs tors. theta energy: -98.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -1037.323840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.323840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.323840 (E_RNA) where: Base-Base interactions energy: -721.173 where: short stacking energy: -321.486 Base-Backbone interact. energy: -0.675 local terms energy: -315.475806 where: bonds (distance) C4'-P energy: -68.346 bonds (distance) P-C4' energy: -54.876 flat angles C4'-P-C4' energy: -69.517 flat angles P-C4'-P energy: -37.013 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: 4, replica: 1 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -1008.745082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.745082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.745082 (E_RNA) where: Base-Base interactions energy: -672.910 where: short stacking energy: -304.334 Base-Backbone interact. energy: 0.179 local terms energy: -336.014574 where: bonds (distance) C4'-P energy: -59.736 bonds (distance) P-C4' energy: -56.631 flat angles C4'-P-C4' energy: -75.606 flat angles P-C4'-P energy: -56.890 tors. eta vs tors. theta energy: -87.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -901.773183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.773183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.773183 (E_RNA) where: Base-Base interactions energy: -613.754 where: short stacking energy: -259.159 Base-Backbone interact. energy: 1.505 local terms energy: -289.523295 where: bonds (distance) C4'-P energy: -59.678 bonds (distance) P-C4' energy: -54.585 flat angles C4'-P-C4' energy: -69.926 flat angles P-C4'-P energy: -42.474 tors. eta vs tors. theta energy: -62.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -829.209137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.209137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.209137 (E_RNA) where: Base-Base interactions energy: -535.797 where: short stacking energy: -230.889 Base-Backbone interact. energy: 0.426 local terms energy: -293.838221 where: bonds (distance) C4'-P energy: -55.152 bonds (distance) P-C4' energy: -63.189 flat angles C4'-P-C4' energy: -64.122 flat angles P-C4'-P energy: -48.434 tors. eta vs tors. theta energy: -62.942 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: 8 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -772.774142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.774142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.774142 (E_RNA) where: Base-Base interactions energy: -496.954 where: short stacking energy: -240.155 Base-Backbone interact. energy: -0.311 local terms energy: -275.508764 where: bonds (distance) C4'-P energy: -45.957 bonds (distance) P-C4' energy: -59.388 flat angles C4'-P-C4' energy: -60.708 flat angles P-C4'-P energy: -41.307 tors. eta vs tors. theta energy: -68.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -644.870904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.870904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.870904 (E_RNA) where: Base-Base interactions energy: -413.938 where: short stacking energy: -193.021 Base-Backbone interact. energy: -2.805 local terms energy: -228.128006 where: bonds (distance) C4'-P energy: -35.819 bonds (distance) P-C4' energy: -54.445 flat angles C4'-P-C4' energy: -60.807 flat angles P-C4'-P energy: -37.204 tors. eta vs tors. theta energy: -39.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -582.006510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.006510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.006510 (E_RNA) where: Base-Base interactions energy: -348.105 where: short stacking energy: -175.799 Base-Backbone interact. energy: -0.296 local terms energy: -233.606432 where: bonds (distance) C4'-P energy: -49.795 bonds (distance) P-C4' energy: -52.950 flat angles C4'-P-C4' energy: -65.299 flat angles P-C4'-P energy: -32.748 tors. eta vs tors. theta energy: -32.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -500.975125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.975125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.975125 (E_RNA) where: Base-Base interactions energy: -295.654 where: short stacking energy: -152.648 Base-Backbone interact. energy: 1.159 local terms energy: -206.479606 where: bonds (distance) C4'-P energy: -43.410 bonds (distance) P-C4' energy: -49.963 flat angles C4'-P-C4' energy: -48.189 flat angles P-C4'-P energy: -33.463 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: 1, replica: 2 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -1164.924282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.924282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.924282 (E_RNA) where: Base-Base interactions energy: -785.222 where: short stacking energy: -338.332 Base-Backbone interact. energy: -0.434 local terms energy: -379.267423 where: bonds (distance) C4'-P energy: -70.503 bonds (distance) P-C4' energy: -67.889 flat angles C4'-P-C4' energy: -79.184 flat angles P-C4'-P energy: -55.244 tors. eta vs tors. theta energy: -106.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -1087.001098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.001098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.001098 (E_RNA) where: Base-Base interactions energy: -745.270 where: short stacking energy: -316.535 Base-Backbone interact. energy: -0.419 local terms energy: -341.312243 where: bonds (distance) C4'-P energy: -60.658 bonds (distance) P-C4' energy: -67.389 flat angles C4'-P-C4' energy: -68.143 flat angles P-C4'-P energy: -48.162 tors. eta vs tors. theta energy: -96.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -1016.367838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.367838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.367838 (E_RNA) where: Base-Base interactions energy: -696.752 where: short stacking energy: -296.092 Base-Backbone interact. energy: -1.415 local terms energy: -318.201718 where: bonds (distance) C4'-P energy: -63.415 bonds (distance) P-C4' energy: -56.711 flat angles C4'-P-C4' energy: -65.226 flat angles P-C4'-P energy: -46.360 tors. eta vs tors. theta energy: -86.490 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: 1 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -1011.212396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.212396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.212396 (E_RNA) where: Base-Base interactions energy: -684.677 where: short stacking energy: -315.170 Base-Backbone interact. energy: 2.602 local terms energy: -329.137030 where: bonds (distance) C4'-P energy: -58.753 bonds (distance) P-C4' energy: -58.741 flat angles C4'-P-C4' energy: -63.092 flat angles P-C4'-P energy: -50.321 tors. eta vs tors. theta energy: -98.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -905.729152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.729152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.729152 (E_RNA) where: Base-Base interactions energy: -607.915 where: short stacking energy: -250.592 Base-Backbone interact. energy: -0.491 local terms energy: -297.323592 where: bonds (distance) C4'-P energy: -43.880 bonds (distance) P-C4' energy: -60.416 flat angles C4'-P-C4' energy: -67.977 flat angles P-C4'-P energy: -47.455 tors. eta vs tors. theta energy: -77.595 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: 8 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -786.174441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.174441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.174441 (E_RNA) where: Base-Base interactions energy: -498.505 where: short stacking energy: -225.775 Base-Backbone interact. energy: -3.490 local terms energy: -284.178783 where: bonds (distance) C4'-P energy: -58.233 bonds (distance) P-C4' energy: -56.248 flat angles C4'-P-C4' energy: -63.051 flat angles P-C4'-P energy: -42.411 tors. eta vs tors. theta energy: -64.236 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: 257 Temperature: 1.200000 Total energy: -741.180621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.180621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.180621 (E_RNA) where: Base-Base interactions energy: -469.003 where: short stacking energy: -214.862 Base-Backbone interact. energy: 0.907 local terms energy: -273.084501 where: bonds (distance) C4'-P energy: -51.243 bonds (distance) P-C4' energy: -64.093 flat angles C4'-P-C4' energy: -56.339 flat angles P-C4'-P energy: -45.836 tors. eta vs tors. theta energy: -55.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -610.103766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.103766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.103766 (E_RNA) where: Base-Base interactions energy: -367.352 where: short stacking energy: -185.960 Base-Backbone interact. energy: -0.381 local terms energy: -242.371045 where: bonds (distance) C4'-P energy: -55.603 bonds (distance) P-C4' energy: -55.666 flat angles C4'-P-C4' energy: -55.161 flat angles P-C4'-P energy: -40.940 tors. eta vs tors. theta energy: -35.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -633.110774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.110774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.110774 (E_RNA) where: Base-Base interactions energy: -395.051 where: short stacking energy: -177.441 Base-Backbone interact. energy: -0.739 local terms energy: -237.321308 where: bonds (distance) C4'-P energy: -53.315 bonds (distance) P-C4' energy: -56.198 flat angles C4'-P-C4' energy: -61.186 flat angles P-C4'-P energy: -27.309 tors. eta vs tors. theta energy: -39.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -476.501964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.501964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.501964 (E_RNA) where: Base-Base interactions energy: -291.573 where: short stacking energy: -142.746 Base-Backbone interact. energy: -1.697 local terms energy: -183.232533 where: bonds (distance) C4'-P energy: -46.060 bonds (distance) P-C4' energy: -42.258 flat angles C4'-P-C4' energy: -45.650 flat angles P-C4'-P energy: -30.878 tors. eta vs tors. theta energy: -18.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -1139.614990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.614990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.614990 (E_RNA) where: Base-Base interactions energy: -785.488 where: short stacking energy: -338.471 Base-Backbone interact. energy: -0.490 local terms energy: -353.636902 where: bonds (distance) C4'-P energy: -58.803 bonds (distance) P-C4' energy: -72.880 flat angles C4'-P-C4' energy: -67.890 flat angles P-C4'-P energy: -51.909 tors. eta vs tors. theta energy: -102.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -1131.750926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.750926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.750926 (E_RNA) where: Base-Base interactions energy: -782.026 where: short stacking energy: -344.094 Base-Backbone interact. energy: -0.200 local terms energy: -349.525392 where: bonds (distance) C4'-P energy: -58.707 bonds (distance) P-C4' energy: -61.220 flat angles C4'-P-C4' energy: -71.178 flat angles P-C4'-P energy: -51.078 tors. eta vs tors. theta energy: -107.343 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: 5 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -1014.396566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.396566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.396566 (E_RNA) where: Base-Base interactions energy: -706.630 where: short stacking energy: -301.359 Base-Backbone interact. energy: -2.197 local terms energy: -305.569533 where: bonds (distance) C4'-P energy: -52.676 bonds (distance) P-C4' energy: -61.695 flat angles C4'-P-C4' energy: -62.807 flat angles P-C4'-P energy: -42.827 tors. eta vs tors. theta energy: -85.566 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: 4, replica: 1 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -994.948528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.948528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.948528 (E_RNA) where: Base-Base interactions energy: -658.628 where: short stacking energy: -299.802 Base-Backbone interact. energy: -1.610 local terms energy: -334.709997 where: bonds (distance) C4'-P energy: -53.118 bonds (distance) P-C4' energy: -71.644 flat angles C4'-P-C4' energy: -74.246 flat angles P-C4'-P energy: -41.772 tors. eta vs tors. theta energy: -93.928 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: 7 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -911.895337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.895337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.895337 (E_RNA) where: Base-Base interactions energy: -619.469 where: short stacking energy: -266.058 Base-Backbone interact. energy: -0.711 local terms energy: -291.714992 where: bonds (distance) C4'-P energy: -57.504 bonds (distance) P-C4' energy: -50.234 flat angles C4'-P-C4' energy: -63.286 flat angles P-C4'-P energy: -42.370 tors. eta vs tors. theta energy: -78.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -758.485375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.485375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.485375 (E_RNA) where: Base-Base interactions energy: -488.000 where: short stacking energy: -214.092 Base-Backbone interact. energy: -1.659 local terms energy: -268.826809 where: bonds (distance) C4'-P energy: -59.499 bonds (distance) P-C4' energy: -54.786 flat angles C4'-P-C4' energy: -60.758 flat angles P-C4'-P energy: -38.556 tors. eta vs tors. theta energy: -55.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -773.982658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.982658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.982658 (E_RNA) where: Base-Base interactions energy: -509.863 where: short stacking energy: -219.456 Base-Backbone interact. energy: -0.917 local terms energy: -263.202983 where: bonds (distance) C4'-P energy: -55.185 bonds (distance) P-C4' energy: -52.171 flat angles C4'-P-C4' energy: -61.894 flat angles P-C4'-P energy: -37.133 tors. eta vs tors. theta energy: -56.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -614.190138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.190138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.190138 (E_RNA) where: Base-Base interactions energy: -358.974 where: short stacking energy: -185.066 Base-Backbone interact. energy: -1.502 local terms energy: -253.713204 where: bonds (distance) C4'-P energy: -47.692 bonds (distance) P-C4' energy: -64.507 flat angles C4'-P-C4' energy: -65.664 flat angles P-C4'-P energy: -34.611 tors. eta vs tors. theta energy: -41.239 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: 4 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -600.680986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.680986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.680986 (E_RNA) where: Base-Base interactions energy: -381.212 where: short stacking energy: -176.459 Base-Backbone interact. energy: 0.467 local terms energy: -219.935945 where: bonds (distance) C4'-P energy: -46.682 bonds (distance) P-C4' energy: -55.139 flat angles C4'-P-C4' energy: -47.767 flat angles P-C4'-P energy: -43.043 tors. eta vs tors. theta energy: -27.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -517.059497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.059497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.059497 (E_RNA) where: Base-Base interactions energy: -311.167 where: short stacking energy: -154.825 Base-Backbone interact. energy: -0.653 local terms energy: -205.239541 where: bonds (distance) C4'-P energy: -48.774 bonds (distance) P-C4' energy: -57.262 flat angles C4'-P-C4' energy: -57.816 flat angles P-C4'-P energy: -19.726 tors. eta vs tors. theta energy: -21.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -1121.026303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.026303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.026303 (E_RNA) where: Base-Base interactions energy: -769.793 where: short stacking energy: -337.458 Base-Backbone interact. energy: 0.295 local terms energy: -351.528347 where: bonds (distance) C4'-P energy: -62.289 bonds (distance) P-C4' energy: -70.582 flat angles C4'-P-C4' energy: -70.778 flat angles P-C4'-P energy: -43.382 tors. eta vs tors. theta energy: -104.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -1134.390341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.390341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.390341 (E_RNA) where: Base-Base interactions energy: -782.712 where: short stacking energy: -329.825 Base-Backbone interact. energy: 0.059 local terms energy: -351.737679 where: bonds (distance) C4'-P energy: -64.387 bonds (distance) P-C4' energy: -57.744 flat angles C4'-P-C4' energy: -75.451 flat angles P-C4'-P energy: -51.458 tors. eta vs tors. theta energy: -102.698 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: 5 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -1040.305101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.305101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.305101 (E_RNA) where: Base-Base interactions energy: -724.192 where: short stacking energy: -332.003 Base-Backbone interact. energy: -2.165 local terms energy: -313.947981 where: bonds (distance) C4'-P energy: -55.457 bonds (distance) P-C4' energy: -54.943 flat angles C4'-P-C4' energy: -64.731 flat angles P-C4'-P energy: -49.087 tors. eta vs tors. theta energy: -89.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -1012.025356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.025356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.025356 (E_RNA) where: Base-Base interactions energy: -689.607 where: short stacking energy: -299.191 Base-Backbone interact. energy: -0.592 local terms energy: -321.825907 where: bonds (distance) C4'-P energy: -62.189 bonds (distance) P-C4' energy: -57.137 flat angles C4'-P-C4' energy: -69.282 flat angles P-C4'-P energy: -42.214 tors. eta vs tors. theta energy: -91.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -914.501279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.501279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.501279 (E_RNA) where: Base-Base interactions energy: -589.272 where: short stacking energy: -255.688 Base-Backbone interact. energy: -1.109 local terms energy: -324.120227 where: bonds (distance) C4'-P energy: -65.374 bonds (distance) P-C4' energy: -63.536 flat angles C4'-P-C4' energy: -69.190 flat angles P-C4'-P energy: -46.515 tors. eta vs tors. theta energy: -79.505 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: 8 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -791.849132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.849132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.849132 (E_RNA) where: Base-Base interactions energy: -508.013 where: short stacking energy: -242.193 Base-Backbone interact. energy: -0.765 local terms energy: -283.071602 where: bonds (distance) C4'-P energy: -62.854 bonds (distance) P-C4' energy: -50.322 flat angles C4'-P-C4' energy: -61.715 flat angles P-C4'-P energy: -35.896 tors. eta vs tors. theta energy: -72.286 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: 9 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -783.340209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.340209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.340209 (E_RNA) where: Base-Base interactions energy: -514.132 where: short stacking energy: -243.863 Base-Backbone interact. energy: -1.884 local terms energy: -267.324415 where: bonds (distance) C4'-P energy: -52.922 bonds (distance) P-C4' energy: -50.014 flat angles C4'-P-C4' energy: -48.901 flat angles P-C4'-P energy: -37.683 tors. eta vs tors. theta energy: -77.805 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: 4 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -624.385653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.385653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.385653 (E_RNA) where: Base-Base interactions energy: -366.298 where: short stacking energy: -175.610 Base-Backbone interact. energy: -0.487 local terms energy: -257.601037 where: bonds (distance) C4'-P energy: -56.504 bonds (distance) P-C4' energy: -57.488 flat angles C4'-P-C4' energy: -58.822 flat angles P-C4'-P energy: -41.118 tors. eta vs tors. theta energy: -43.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -609.367011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.367011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.367011 (E_RNA) where: Base-Base interactions energy: -361.579 where: short stacking energy: -167.004 Base-Backbone interact. energy: -1.372 local terms energy: -246.416719 where: bonds (distance) C4'-P energy: -67.425 bonds (distance) P-C4' energy: -60.648 flat angles C4'-P-C4' energy: -55.554 flat angles P-C4'-P energy: -32.793 tors. eta vs tors. theta energy: -29.996 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: 6 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -528.202840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.202840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.202840 (E_RNA) where: Base-Base interactions energy: -298.202 where: short stacking energy: -138.638 Base-Backbone interact. energy: -2.474 local terms energy: -227.527302 where: bonds (distance) C4'-P energy: -55.502 bonds (distance) P-C4' energy: -62.500 flat angles C4'-P-C4' energy: -55.464 flat angles P-C4'-P energy: -28.666 tors. eta vs tors. theta energy: -25.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -1145.791854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.791854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.791854 (E_RNA) where: Base-Base interactions energy: -780.860 where: short stacking energy: -346.732 Base-Backbone interact. energy: -0.477 local terms energy: -364.454863 where: bonds (distance) C4'-P energy: -68.400 bonds (distance) P-C4' energy: -65.370 flat angles C4'-P-C4' energy: -73.114 flat angles P-C4'-P energy: -52.233 tors. eta vs tors. theta energy: -105.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -1138.299586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.299586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.299586 (E_RNA) where: Base-Base interactions energy: -803.556 where: short stacking energy: -344.447 Base-Backbone interact. energy: -1.757 local terms energy: -332.987484 where: bonds (distance) C4'-P energy: -55.560 bonds (distance) P-C4' energy: -56.216 flat angles C4'-P-C4' energy: -74.541 flat angles P-C4'-P energy: -45.951 tors. eta vs tors. theta energy: -100.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -989.625083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.625083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.625083 (E_RNA) where: Base-Base interactions energy: -674.681 where: short stacking energy: -306.132 Base-Backbone interact. energy: -0.623 local terms energy: -314.320495 where: bonds (distance) C4'-P energy: -57.682 bonds (distance) P-C4' energy: -52.739 flat angles C4'-P-C4' energy: -64.799 flat angles P-C4'-P energy: -52.345 tors. eta vs tors. theta energy: -86.755 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: 1 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -992.560997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.560997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.560997 (E_RNA) where: Base-Base interactions energy: -664.127 where: short stacking energy: -293.269 Base-Backbone interact. energy: -2.554 local terms energy: -325.880077 where: bonds (distance) C4'-P energy: -58.081 bonds (distance) P-C4' energy: -69.236 flat angles C4'-P-C4' energy: -76.754 flat angles P-C4'-P energy: -35.437 tors. eta vs tors. theta energy: -86.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -956.156642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.156642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.156642 (E_RNA) where: Base-Base interactions energy: -649.341 where: short stacking energy: -285.253 Base-Backbone interact. energy: -1.432 local terms energy: -305.383203 where: bonds (distance) C4'-P energy: -55.067 bonds (distance) P-C4' energy: -60.782 flat angles C4'-P-C4' energy: -61.620 flat angles P-C4'-P energy: -40.353 tors. eta vs tors. theta energy: -87.561 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: 8 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -766.702669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.702669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.702669 (E_RNA) where: Base-Base interactions energy: -490.661 where: short stacking energy: -226.534 Base-Backbone interact. energy: -1.027 local terms energy: -275.014856 where: bonds (distance) C4'-P energy: -62.126 bonds (distance) P-C4' energy: -47.440 flat angles C4'-P-C4' energy: -60.094 flat angles P-C4'-P energy: -34.396 tors. eta vs tors. theta energy: -70.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -750.490547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.490547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.490547 (E_RNA) where: Base-Base interactions energy: -479.561 where: short stacking energy: -228.037 Base-Backbone interact. energy: 0.164 local terms energy: -271.093960 where: bonds (distance) C4'-P energy: -57.651 bonds (distance) P-C4' energy: -59.172 flat angles C4'-P-C4' energy: -62.954 flat angles P-C4'-P energy: -36.785 tors. eta vs tors. theta energy: -54.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -630.772204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.772204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.772204 (E_RNA) where: Base-Base interactions energy: -407.640 where: short stacking energy: -167.365 Base-Backbone interact. energy: -0.164 local terms energy: -222.967268 where: bonds (distance) C4'-P energy: -39.621 bonds (distance) P-C4' energy: -51.993 flat angles C4'-P-C4' energy: -53.147 flat angles P-C4'-P energy: -39.476 tors. eta vs tors. theta energy: -38.729 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: 10 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -572.462691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.462691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.462691 (E_RNA) where: Base-Base interactions energy: -372.586 where: short stacking energy: -152.913 Base-Backbone interact. energy: -0.853 local terms energy: -199.023713 where: bonds (distance) C4'-P energy: -46.914 bonds (distance) P-C4' energy: -38.801 flat angles C4'-P-C4' energy: -49.831 flat angles P-C4'-P energy: -32.926 tors. eta vs tors. theta energy: -30.552 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: 10, replica: 6 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -506.035302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.035302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.035302 (E_RNA) where: Base-Base interactions energy: -299.264 where: short stacking energy: -141.394 Base-Backbone interact. energy: -0.690 local terms energy: -206.081326 where: bonds (distance) C4'-P energy: -36.663 bonds (distance) P-C4' energy: -50.102 flat angles C4'-P-C4' energy: -63.554 flat angles P-C4'-P energy: -31.570 tors. eta vs tors. theta energy: -24.192 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: 1, replica: 3 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -1118.456082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.456082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.456082 (E_RNA) where: Base-Base interactions energy: -749.785 where: short stacking energy: -330.434 Base-Backbone interact. energy: -0.793 local terms energy: -367.878156 where: bonds (distance) C4'-P energy: -69.941 bonds (distance) P-C4' energy: -65.611 flat angles C4'-P-C4' energy: -73.859 flat angles P-C4'-P energy: -55.796 tors. eta vs tors. theta energy: -102.671 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: 2 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -1146.741369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.741369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.741369 (E_RNA) where: Base-Base interactions energy: -807.031 where: short stacking energy: -342.306 Base-Backbone interact. energy: -0.858 local terms energy: -338.852562 where: bonds (distance) C4'-P energy: -58.689 bonds (distance) P-C4' energy: -65.155 flat angles C4'-P-C4' energy: -67.647 flat angles P-C4'-P energy: -47.043 tors. eta vs tors. theta energy: -100.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -1007.768877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.768877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.768877 (E_RNA) where: Base-Base interactions energy: -686.480 where: short stacking energy: -295.670 Base-Backbone interact. energy: -2.593 local terms energy: -318.696199 where: bonds (distance) C4'-P energy: -60.087 bonds (distance) P-C4' energy: -58.730 flat angles C4'-P-C4' energy: -71.529 flat angles P-C4'-P energy: -48.586 tors. eta vs tors. theta energy: -79.765 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: 7 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -970.663082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.663082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.663082 (E_RNA) where: Base-Base interactions energy: -660.616 where: short stacking energy: -294.127 Base-Backbone interact. energy: 0.590 local terms energy: -310.636904 where: bonds (distance) C4'-P energy: -52.080 bonds (distance) P-C4' energy: -56.090 flat angles C4'-P-C4' energy: -73.125 flat angles P-C4'-P energy: -45.234 tors. eta vs tors. theta energy: -84.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -946.441140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.441140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.441140 (E_RNA) where: Base-Base interactions energy: -648.820 where: short stacking energy: -282.385 Base-Backbone interact. energy: -0.057 local terms energy: -297.564758 where: bonds (distance) C4'-P energy: -50.281 bonds (distance) P-C4' energy: -56.706 flat angles C4'-P-C4' energy: -65.772 flat angles P-C4'-P energy: -38.807 tors. eta vs tors. theta energy: -85.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -793.287982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.287982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.287982 (E_RNA) where: Base-Base interactions energy: -495.626 where: short stacking energy: -228.752 Base-Backbone interact. energy: -0.322 local terms energy: -297.340225 where: bonds (distance) C4'-P energy: -67.093 bonds (distance) P-C4' energy: -57.610 flat angles C4'-P-C4' energy: -65.286 flat angles P-C4'-P energy: -41.124 tors. eta vs tors. theta energy: -66.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -744.390883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.390883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.390883 (E_RNA) where: Base-Base interactions energy: -500.040 where: short stacking energy: -211.489 Base-Backbone interact. energy: -1.068 local terms energy: -243.282762 where: bonds (distance) C4'-P energy: -50.389 bonds (distance) P-C4' energy: -61.207 flat angles C4'-P-C4' energy: -60.504 flat angles P-C4'-P energy: -27.163 tors. eta vs tors. theta energy: -44.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -615.941700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.941700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.941700 (E_RNA) where: Base-Base interactions energy: -376.331 where: short stacking energy: -185.710 Base-Backbone interact. energy: -0.572 local terms energy: -239.039009 where: bonds (distance) C4'-P energy: -56.200 bonds (distance) P-C4' energy: -53.580 flat angles C4'-P-C4' energy: -53.037 flat angles P-C4'-P energy: -36.957 tors. eta vs tors. theta energy: -39.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -591.281057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.281057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.281057 (E_RNA) where: Base-Base interactions energy: -348.293 where: short stacking energy: -163.210 Base-Backbone interact. energy: -1.894 local terms energy: -241.094084 where: bonds (distance) C4'-P energy: -49.464 bonds (distance) P-C4' energy: -62.377 flat angles C4'-P-C4' energy: -59.425 flat angles P-C4'-P energy: -35.888 tors. eta vs tors. theta energy: -33.940 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: 6 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -505.195837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.195837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.195837 (E_RNA) where: Base-Base interactions energy: -284.202 where: short stacking energy: -136.128 Base-Backbone interact. energy: -1.772 local terms energy: -219.221403 where: bonds (distance) C4'-P energy: -60.310 bonds (distance) P-C4' energy: -58.129 flat angles C4'-P-C4' energy: -43.629 flat angles P-C4'-P energy: -33.635 tors. eta vs tors. theta energy: -23.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -1169.868579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.868579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.868579 (E_RNA) where: Base-Base interactions energy: -809.487 where: short stacking energy: -334.758 Base-Backbone interact. energy: -1.887 local terms energy: -358.494588 where: bonds (distance) C4'-P energy: -63.807 bonds (distance) P-C4' energy: -68.692 flat angles C4'-P-C4' energy: -67.647 flat angles P-C4'-P energy: -56.949 tors. eta vs tors. theta energy: -101.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -1099.893415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.893415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.893415 (E_RNA) where: Base-Base interactions energy: -772.754 where: short stacking energy: -339.795 Base-Backbone interact. energy: -0.500 local terms energy: -326.639319 where: bonds (distance) C4'-P energy: -51.829 bonds (distance) P-C4' energy: -51.783 flat angles C4'-P-C4' energy: -70.136 flat angles P-C4'-P energy: -53.476 tors. eta vs tors. theta energy: -99.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -1005.497795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.497795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.497795 (E_RNA) where: Base-Base interactions energy: -669.801 where: short stacking energy: -307.842 Base-Backbone interact. energy: -0.457 local terms energy: -335.239925 where: bonds (distance) C4'-P energy: -58.130 bonds (distance) P-C4' energy: -63.318 flat angles C4'-P-C4' energy: -70.649 flat angles P-C4'-P energy: -53.634 tors. eta vs tors. theta energy: -89.510 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: 7 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -965.635172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.635172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.635172 (E_RNA) where: Base-Base interactions energy: -672.795 where: short stacking energy: -276.989 Base-Backbone interact. energy: -1.728 local terms energy: -291.112083 where: bonds (distance) C4'-P energy: -49.637 bonds (distance) P-C4' energy: -58.613 flat angles C4'-P-C4' energy: -66.779 flat angles P-C4'-P energy: -41.811 tors. eta vs tors. theta energy: -74.272 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: 1 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -965.107251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.107251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.107251 (E_RNA) where: Base-Base interactions energy: -655.919 where: short stacking energy: -291.997 Base-Backbone interact. energy: 2.985 local terms energy: -312.173089 where: bonds (distance) C4'-P energy: -51.277 bonds (distance) P-C4' energy: -66.392 flat angles C4'-P-C4' energy: -65.903 flat angles P-C4'-P energy: -47.779 tors. eta vs tors. theta energy: -80.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -814.178673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.178673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.178673 (E_RNA) where: Base-Base interactions energy: -533.265 where: short stacking energy: -240.572 Base-Backbone interact. energy: -0.875 local terms energy: -280.038686 where: bonds (distance) C4'-P energy: -59.884 bonds (distance) P-C4' energy: -53.476 flat angles C4'-P-C4' energy: -64.173 flat angles P-C4'-P energy: -40.967 tors. eta vs tors. theta energy: -61.539 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: 9 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -750.021966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.021966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.021966 (E_RNA) where: Base-Base interactions energy: -480.524 where: short stacking energy: -204.485 Base-Backbone interact. energy: -0.386 local terms energy: -269.112063 where: bonds (distance) C4'-P energy: -54.189 bonds (distance) P-C4' energy: -62.969 flat angles C4'-P-C4' energy: -59.496 flat angles P-C4'-P energy: -40.425 tors. eta vs tors. theta energy: -52.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -618.651448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.651448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.651448 (E_RNA) where: Base-Base interactions energy: -376.872 where: short stacking energy: -160.715 Base-Backbone interact. energy: 0.588 local terms energy: -242.367253 where: bonds (distance) C4'-P energy: -52.953 bonds (distance) P-C4' energy: -58.967 flat angles C4'-P-C4' energy: -61.575 flat angles P-C4'-P energy: -41.510 tors. eta vs tors. theta energy: -27.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -582.958357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.958357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.958357 (E_RNA) where: Base-Base interactions energy: -346.542 where: short stacking energy: -160.408 Base-Backbone interact. energy: -1.055 local terms energy: -235.361260 where: bonds (distance) C4'-P energy: -67.589 bonds (distance) P-C4' energy: -53.553 flat angles C4'-P-C4' energy: -56.975 flat angles P-C4'-P energy: -25.247 tors. eta vs tors. theta energy: -31.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -483.318953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.318953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.318953 (E_RNA) where: Base-Base interactions energy: -298.931 where: short stacking energy: -141.867 Base-Backbone interact. energy: 0.442 local terms energy: -184.830149 where: bonds (distance) C4'-P energy: -41.678 bonds (distance) P-C4' energy: -44.268 flat angles C4'-P-C4' energy: -40.943 flat angles P-C4'-P energy: -34.175 tors. eta vs tors. theta energy: -23.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -1164.742029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.742029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.742029 (E_RNA) where: Base-Base interactions energy: -791.078 where: short stacking energy: -351.709 Base-Backbone interact. energy: -0.620 local terms energy: -373.043462 where: bonds (distance) C4'-P energy: -68.015 bonds (distance) P-C4' energy: -62.148 flat angles C4'-P-C4' energy: -74.917 flat angles P-C4'-P energy: -57.258 tors. eta vs tors. theta energy: -110.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -1108.506898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.506898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.506898 (E_RNA) where: Base-Base interactions energy: -761.910 where: short stacking energy: -331.418 Base-Backbone interact. energy: -0.056 local terms energy: -346.541290 where: bonds (distance) C4'-P energy: -66.148 bonds (distance) P-C4' energy: -59.888 flat angles C4'-P-C4' energy: -69.281 flat angles P-C4'-P energy: -52.481 tors. eta vs tors. theta energy: -98.744 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: 3, replica: 5 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -1024.816283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.816283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.816283 (E_RNA) where: Base-Base interactions energy: -697.293 where: short stacking energy: -314.842 Base-Backbone interact. energy: -1.424 local terms energy: -326.099366 where: bonds (distance) C4'-P energy: -59.516 bonds (distance) P-C4' energy: -56.296 flat angles C4'-P-C4' energy: -67.723 flat angles P-C4'-P energy: -48.462 tors. eta vs tors. theta energy: -94.103 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: 7 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -971.739792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.739792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.739792 (E_RNA) where: Base-Base interactions energy: -668.808 where: short stacking energy: -275.435 Base-Backbone interact. energy: -0.848 local terms energy: -302.084302 where: bonds (distance) C4'-P energy: -55.036 bonds (distance) P-C4' energy: -59.283 flat angles C4'-P-C4' energy: -68.456 flat angles P-C4'-P energy: -42.783 tors. eta vs tors. theta energy: -76.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -953.790846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.790846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.790846 (E_RNA) where: Base-Base interactions energy: -656.155 where: short stacking energy: -293.279 Base-Backbone interact. energy: 3.585 local terms energy: -301.221111 where: bonds (distance) C4'-P energy: -52.122 bonds (distance) P-C4' energy: -55.141 flat angles C4'-P-C4' energy: -66.978 flat angles P-C4'-P energy: -45.401 tors. eta vs tors. theta energy: -81.580 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: 6, replica: 8 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -835.520515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.520515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.520515 (E_RNA) where: Base-Base interactions energy: -574.306 where: short stacking energy: -248.775 Base-Backbone interact. energy: -0.271 local terms energy: -260.944336 where: bonds (distance) C4'-P energy: -52.282 bonds (distance) P-C4' energy: -52.735 flat angles C4'-P-C4' energy: -53.254 flat angles P-C4'-P energy: -42.203 tors. eta vs tors. theta energy: -60.470 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: 7, replica: 9 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -728.940515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.940515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.940515 (E_RNA) where: Base-Base interactions energy: -474.671 where: short stacking energy: -211.221 Base-Backbone interact. energy: -0.052 local terms energy: -254.217561 where: bonds (distance) C4'-P energy: -60.129 bonds (distance) P-C4' energy: -47.401 flat angles C4'-P-C4' energy: -60.801 flat angles P-C4'-P energy: -37.323 tors. eta vs tors. theta energy: -48.565 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: 4 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -623.459629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.459629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.459629 (E_RNA) where: Base-Base interactions energy: -388.023 where: short stacking energy: -178.269 Base-Backbone interact. energy: 2.591 local terms energy: -238.027712 where: bonds (distance) C4'-P energy: -43.934 bonds (distance) P-C4' energy: -61.303 flat angles C4'-P-C4' energy: -63.071 flat angles P-C4'-P energy: -32.402 tors. eta vs tors. theta energy: -37.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -603.746921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.746921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.746921 (E_RNA) where: Base-Base interactions energy: -356.898 where: short stacking energy: -176.905 Base-Backbone interact. energy: -0.973 local terms energy: -245.875408 where: bonds (distance) C4'-P energy: -58.791 bonds (distance) P-C4' energy: -61.978 flat angles C4'-P-C4' energy: -57.585 flat angles P-C4'-P energy: -36.827 tors. eta vs tors. theta energy: -30.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -465.953774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.953774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.953774 (E_RNA) where: Base-Base interactions energy: -271.513 where: short stacking energy: -140.848 Base-Backbone interact. energy: 1.521 local terms energy: -195.962028 where: bonds (distance) C4'-P energy: -44.987 bonds (distance) P-C4' energy: -60.096 flat angles C4'-P-C4' energy: -44.770 flat angles P-C4'-P energy: -32.106 tors. eta vs tors. theta energy: -14.003 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: 2 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -1149.043204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.043204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.043204 (E_RNA) where: Base-Base interactions energy: -792.309 where: short stacking energy: -351.799 Base-Backbone interact. energy: -1.177 local terms energy: -355.557305 where: bonds (distance) C4'-P energy: -53.398 bonds (distance) P-C4' energy: -66.086 flat angles C4'-P-C4' energy: -69.758 flat angles P-C4'-P energy: -56.948 tors. eta vs tors. theta energy: -109.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -1101.451947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.451947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.451947 (E_RNA) where: Base-Base interactions energy: -760.659 where: short stacking energy: -328.631 Base-Backbone interact. energy: 2.135 local terms energy: -342.928594 where: bonds (distance) C4'-P energy: -63.117 bonds (distance) P-C4' energy: -65.897 flat angles C4'-P-C4' energy: -67.057 flat angles P-C4'-P energy: -50.994 tors. eta vs tors. theta energy: -95.864 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: 7 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -970.711689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.711689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.711689 (E_RNA) where: Base-Base interactions energy: -650.449 where: short stacking energy: -285.886 Base-Backbone interact. energy: -0.883 local terms energy: -319.380155 where: bonds (distance) C4'-P energy: -62.871 bonds (distance) P-C4' energy: -67.952 flat angles C4'-P-C4' energy: -67.916 flat angles P-C4'-P energy: -49.943 tors. eta vs tors. theta energy: -70.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -1029.713794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.713794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.713794 (E_RNA) where: Base-Base interactions energy: -703.174 where: short stacking energy: -315.783 Base-Backbone interact. energy: -0.279 local terms energy: -326.261035 where: bonds (distance) C4'-P energy: -64.136 bonds (distance) P-C4' energy: -51.887 flat angles C4'-P-C4' energy: -67.687 flat angles P-C4'-P energy: -49.772 tors. eta vs tors. theta energy: -92.780 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: 1 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -983.782345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.782345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.782345 (E_RNA) where: Base-Base interactions energy: -685.263 where: short stacking energy: -275.604 Base-Backbone interact. energy: -1.327 local terms energy: -297.192180 where: bonds (distance) C4'-P energy: -37.460 bonds (distance) P-C4' energy: -64.327 flat angles C4'-P-C4' energy: -64.621 flat angles P-C4'-P energy: -44.211 tors. eta vs tors. theta energy: -86.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -846.923213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.923213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.923213 (E_RNA) where: Base-Base interactions energy: -581.890 where: short stacking energy: -260.602 Base-Backbone interact. energy: -1.032 local terms energy: -264.001631 where: bonds (distance) C4'-P energy: -35.380 bonds (distance) P-C4' energy: -58.469 flat angles C4'-P-C4' energy: -56.857 flat angles P-C4'-P energy: -40.152 tors. eta vs tors. theta energy: -73.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -696.818955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.818955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.818955 (E_RNA) where: Base-Base interactions energy: -450.138 where: short stacking energy: -192.277 Base-Backbone interact. energy: -0.418 local terms energy: -246.262618 where: bonds (distance) C4'-P energy: -55.508 bonds (distance) P-C4' energy: -56.983 flat angles C4'-P-C4' energy: -61.921 flat angles P-C4'-P energy: -26.577 tors. eta vs tors. theta energy: -45.272 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: 4 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -651.804827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.804827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.804827 (E_RNA) where: Base-Base interactions energy: -404.309 where: short stacking energy: -202.323 Base-Backbone interact. energy: 0.390 local terms energy: -247.885229 where: bonds (distance) C4'-P energy: -49.964 bonds (distance) P-C4' energy: -54.432 flat angles C4'-P-C4' energy: -65.635 flat angles P-C4'-P energy: -32.120 tors. eta vs tors. theta energy: -45.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -584.445915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.445915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.445915 (E_RNA) where: Base-Base interactions energy: -344.951 where: short stacking energy: -165.355 Base-Backbone interact. energy: 1.854 local terms energy: -241.349590 where: bonds (distance) C4'-P energy: -53.732 bonds (distance) P-C4' energy: -49.044 flat angles C4'-P-C4' energy: -58.108 flat angles P-C4'-P energy: -38.446 tors. eta vs tors. theta energy: -42.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -490.919397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.919397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.919397 (E_RNA) where: Base-Base interactions energy: -310.595 where: short stacking energy: -127.563 Base-Backbone interact. energy: -3.334 local terms energy: -176.990406 where: bonds (distance) C4'-P energy: -39.713 bonds (distance) P-C4' energy: -51.802 flat angles C4'-P-C4' energy: -33.121 flat angles P-C4'-P energy: -28.838 tors. eta vs tors. theta energy: -23.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -1172.199342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.199342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.199342 (E_RNA) where: Base-Base interactions energy: -825.999 where: short stacking energy: -345.476 Base-Backbone interact. energy: 0.657 local terms energy: -346.857144 where: bonds (distance) C4'-P energy: -65.946 bonds (distance) P-C4' energy: -58.938 flat angles C4'-P-C4' energy: -68.720 flat angles P-C4'-P energy: -47.464 tors. eta vs tors. theta energy: -105.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -1102.917737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.917737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.917737 (E_RNA) where: Base-Base interactions energy: -745.516 where: short stacking energy: -335.831 Base-Backbone interact. energy: -0.726 local terms energy: -356.675578 where: bonds (distance) C4'-P energy: -69.326 bonds (distance) P-C4' energy: -59.951 flat angles C4'-P-C4' energy: -75.593 flat angles P-C4'-P energy: -52.409 tors. eta vs tors. theta energy: -99.396 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: 7 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -960.114358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.114358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.114358 (E_RNA) where: Base-Base interactions energy: -649.140 where: short stacking energy: -283.810 Base-Backbone interact. energy: -1.560 local terms energy: -309.414610 where: bonds (distance) C4'-P energy: -59.459 bonds (distance) P-C4' energy: -59.546 flat angles C4'-P-C4' energy: -64.983 flat angles P-C4'-P energy: -46.036 tors. eta vs tors. theta energy: -79.390 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: 4, replica: 5 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -1004.570194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.570194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.570194 (E_RNA) where: Base-Base interactions energy: -690.708 where: short stacking energy: -299.771 Base-Backbone interact. energy: -0.154 local terms energy: -313.708480 where: bonds (distance) C4'-P energy: -59.210 bonds (distance) P-C4' energy: -53.600 flat angles C4'-P-C4' energy: -62.898 flat angles P-C4'-P energy: -52.132 tors. eta vs tors. theta energy: -85.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -976.597376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.597376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.597376 (E_RNA) where: Base-Base interactions energy: -686.810 where: short stacking energy: -281.781 Base-Backbone interact. energy: -1.514 local terms energy: -288.273342 where: bonds (distance) C4'-P energy: -41.079 bonds (distance) P-C4' energy: -56.620 flat angles C4'-P-C4' energy: -64.660 flat angles P-C4'-P energy: -40.872 tors. eta vs tors. theta energy: -85.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -857.789249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.789249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.789249 (E_RNA) where: Base-Base interactions energy: -582.971 where: short stacking energy: -255.775 Base-Backbone interact. energy: 2.278 local terms energy: -277.096183 where: bonds (distance) C4'-P energy: -55.240 bonds (distance) P-C4' energy: -48.667 flat angles C4'-P-C4' energy: -66.396 flat angles P-C4'-P energy: -34.498 tors. eta vs tors. theta energy: -72.296 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: 9 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -715.071199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.071199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.071199 (E_RNA) where: Base-Base interactions energy: -462.169 where: short stacking energy: -205.383 Base-Backbone interact. energy: -1.076 local terms energy: -251.826297 where: bonds (distance) C4'-P energy: -54.611 bonds (distance) P-C4' energy: -73.826 flat angles C4'-P-C4' energy: -55.495 flat angles P-C4'-P energy: -26.402 tors. eta vs tors. theta energy: -41.492 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: 4 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -656.988236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.988236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.988236 (E_RNA) where: Base-Base interactions energy: -418.295 where: short stacking energy: -188.356 Base-Backbone interact. energy: -1.396 local terms energy: -237.297292 where: bonds (distance) C4'-P energy: -53.091 bonds (distance) P-C4' energy: -66.073 flat angles C4'-P-C4' energy: -55.486 flat angles P-C4'-P energy: -31.423 tors. eta vs tors. theta energy: -31.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -582.820609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.820609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.820609 (E_RNA) where: Base-Base interactions energy: -359.593 where: short stacking energy: -153.128 Base-Backbone interact. energy: -1.493 local terms energy: -221.734929 where: bonds (distance) C4'-P energy: -49.273 bonds (distance) P-C4' energy: -54.634 flat angles C4'-P-C4' energy: -50.396 flat angles P-C4'-P energy: -40.519 tors. eta vs tors. theta energy: -26.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -537.330321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.330321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.330321 (E_RNA) where: Base-Base interactions energy: -324.001 where: short stacking energy: -161.202 Base-Backbone interact. energy: 4.078 local terms energy: -217.407438 where: bonds (distance) C4'-P energy: -47.216 bonds (distance) P-C4' energy: -57.576 flat angles C4'-P-C4' energy: -46.781 flat angles P-C4'-P energy: -32.194 tors. eta vs tors. theta energy: -33.641 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: 2 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -1158.180137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.180137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.180137 (E_RNA) where: Base-Base interactions energy: -799.648 where: short stacking energy: -360.200 Base-Backbone interact. energy: -1.675 local terms energy: -356.857210 where: bonds (distance) C4'-P energy: -64.313 bonds (distance) P-C4' energy: -61.876 flat angles C4'-P-C4' energy: -70.008 flat angles P-C4'-P energy: -57.102 tors. eta vs tors. theta energy: -103.558 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: 2, replica: 3 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -1086.639382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.639382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.639382 (E_RNA) where: Base-Base interactions energy: -736.433 where: short stacking energy: -326.297 Base-Backbone interact. energy: 0.090 local terms energy: -350.295561 where: bonds (distance) C4'-P energy: -53.156 bonds (distance) P-C4' energy: -66.384 flat angles C4'-P-C4' energy: -73.584 flat angles P-C4'-P energy: -56.658 tors. eta vs tors. theta energy: -100.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -1040.108282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.108282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.108282 (E_RNA) where: Base-Base interactions energy: -706.265 where: short stacking energy: -331.395 Base-Backbone interact. energy: -0.697 local terms energy: -333.146547 where: bonds (distance) C4'-P energy: -59.139 bonds (distance) P-C4' energy: -68.268 flat angles C4'-P-C4' energy: -64.551 flat angles P-C4'-P energy: -51.469 tors. eta vs tors. theta energy: -89.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -977.257081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.257081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.257081 (E_RNA) where: Base-Base interactions energy: -658.883 where: short stacking energy: -283.386 Base-Backbone interact. energy: 1.084 local terms energy: -319.457595 where: bonds (distance) C4'-P energy: -64.308 bonds (distance) P-C4' energy: -58.286 flat angles C4'-P-C4' energy: -73.085 flat angles P-C4'-P energy: -45.193 tors. eta vs tors. theta energy: -78.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -968.068216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.068216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.068216 (E_RNA) where: Base-Base interactions energy: -639.281 where: short stacking energy: -302.158 Base-Backbone interact. energy: -1.665 local terms energy: -327.121565 where: bonds (distance) C4'-P energy: -62.232 bonds (distance) P-C4' energy: -63.507 flat angles C4'-P-C4' energy: -70.286 flat angles P-C4'-P energy: -46.740 tors. eta vs tors. theta energy: -84.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -838.181532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.181532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.181532 (E_RNA) where: Base-Base interactions energy: -557.512 where: short stacking energy: -227.303 Base-Backbone interact. energy: -1.465 local terms energy: -279.204628 where: bonds (distance) C4'-P energy: -56.770 bonds (distance) P-C4' energy: -56.167 flat angles C4'-P-C4' energy: -64.410 flat angles P-C4'-P energy: -40.548 tors. eta vs tors. theta energy: -61.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -735.037616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.037616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.037616 (E_RNA) where: Base-Base interactions energy: -464.491 where: short stacking energy: -212.421 Base-Backbone interact. energy: 0.053 local terms energy: -270.599679 where: bonds (distance) C4'-P energy: -56.979 bonds (distance) P-C4' energy: -56.751 flat angles C4'-P-C4' energy: -64.013 flat angles P-C4'-P energy: -36.543 tors. eta vs tors. theta energy: -56.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -620.765670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.765670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.765670 (E_RNA) where: Base-Base interactions energy: -383.566 where: short stacking energy: -176.738 Base-Backbone interact. energy: -0.800 local terms energy: -236.399269 where: bonds (distance) C4'-P energy: -57.589 bonds (distance) P-C4' energy: -54.798 flat angles C4'-P-C4' energy: -49.788 flat angles P-C4'-P energy: -29.448 tors. eta vs tors. theta energy: -44.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -556.505607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.505607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.505607 (E_RNA) where: Base-Base interactions energy: -329.314 where: short stacking energy: -150.100 Base-Backbone interact. energy: 0.454 local terms energy: -227.645250 where: bonds (distance) C4'-P energy: -50.950 bonds (distance) P-C4' energy: -58.126 flat angles C4'-P-C4' energy: -47.740 flat angles P-C4'-P energy: -44.622 tors. eta vs tors. theta energy: -26.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -563.212490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.212490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.212490 (E_RNA) where: Base-Base interactions energy: -344.782 where: short stacking energy: -166.746 Base-Backbone interact. energy: 0.004 local terms energy: -218.434502 where: bonds (distance) C4'-P energy: -49.688 bonds (distance) P-C4' energy: -61.072 flat angles C4'-P-C4' energy: -47.744 flat angles P-C4'-P energy: -27.950 tors. eta vs tors. theta energy: -31.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -1165.447459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.447459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.447459 (E_RNA) where: Base-Base interactions energy: -800.131 where: short stacking energy: -347.162 Base-Backbone interact. energy: -1.430 local terms energy: -363.886669 where: bonds (distance) C4'-P energy: -66.195 bonds (distance) P-C4' energy: -66.656 flat angles C4'-P-C4' energy: -72.893 flat angles P-C4'-P energy: -50.405 tors. eta vs tors. theta energy: -107.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -1096.930653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.930653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.930653 (E_RNA) where: Base-Base interactions energy: -741.106 where: short stacking energy: -322.446 Base-Backbone interact. energy: -0.375 local terms energy: -355.449889 where: bonds (distance) C4'-P energy: -69.460 bonds (distance) P-C4' energy: -70.645 flat angles C4'-P-C4' energy: -69.242 flat angles P-C4'-P energy: -55.465 tors. eta vs tors. theta energy: -90.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -1025.005257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.005257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.005257 (E_RNA) where: Base-Base interactions energy: -712.701 where: short stacking energy: -323.325 Base-Backbone interact. energy: 1.995 local terms energy: -314.300054 where: bonds (distance) C4'-P energy: -60.673 bonds (distance) P-C4' energy: -56.190 flat angles C4'-P-C4' energy: -68.751 flat angles P-C4'-P energy: -45.803 tors. eta vs tors. theta energy: -82.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -985.853731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.853731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.853731 (E_RNA) where: Base-Base interactions energy: -664.724 where: short stacking energy: -300.096 Base-Backbone interact. energy: -2.115 local terms energy: -319.014839 where: bonds (distance) C4'-P energy: -54.803 bonds (distance) P-C4' energy: -62.871 flat angles C4'-P-C4' energy: -66.970 flat angles P-C4'-P energy: -42.942 tors. eta vs tors. theta energy: -91.429 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: 7 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -936.863276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.863276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.863276 (E_RNA) where: Base-Base interactions energy: -641.514 where: short stacking energy: -287.019 Base-Backbone interact. energy: -2.779 local terms energy: -292.570085 where: bonds (distance) C4'-P energy: -53.619 bonds (distance) P-C4' energy: -58.051 flat angles C4'-P-C4' energy: -67.796 flat angles P-C4'-P energy: -39.753 tors. eta vs tors. theta energy: -73.352 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: 8 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -813.248681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.248681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.248681 (E_RNA) where: Base-Base interactions energy: -554.814 where: short stacking energy: -233.102 Base-Backbone interact. energy: -0.003 local terms energy: -258.431350 where: bonds (distance) C4'-P energy: -46.750 bonds (distance) P-C4' energy: -54.561 flat angles C4'-P-C4' energy: -62.460 flat angles P-C4'-P energy: -37.089 tors. eta vs tors. theta energy: -57.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -735.036433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.036433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.036433 (E_RNA) where: Base-Base interactions energy: -472.407 where: short stacking energy: -205.805 Base-Backbone interact. energy: 0.768 local terms energy: -263.397027 where: bonds (distance) C4'-P energy: -56.803 bonds (distance) P-C4' energy: -50.865 flat angles C4'-P-C4' energy: -60.241 flat angles P-C4'-P energy: -45.190 tors. eta vs tors. theta energy: -50.297 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: 6 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -561.988324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.988324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.988324 (E_RNA) where: Base-Base interactions energy: -345.201 where: short stacking energy: -188.832 Base-Backbone interact. energy: 0.205 local terms energy: -216.991423 where: bonds (distance) C4'-P energy: -37.626 bonds (distance) P-C4' energy: -54.918 flat angles C4'-P-C4' energy: -54.894 flat angles P-C4'-P energy: -39.733 tors. eta vs tors. theta energy: -29.821 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: 4 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -576.992610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.992610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.992610 (E_RNA) where: Base-Base interactions energy: -341.916 where: short stacking energy: -178.230 Base-Backbone interact. energy: -0.259 local terms energy: -234.817592 where: bonds (distance) C4'-P energy: -63.242 bonds (distance) P-C4' energy: -56.264 flat angles C4'-P-C4' energy: -52.815 flat angles P-C4'-P energy: -21.975 tors. eta vs tors. theta energy: -40.520 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: 10, replica: 10 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -559.602741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.602741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.602741 (E_RNA) where: Base-Base interactions energy: -344.590 where: short stacking energy: -154.877 Base-Backbone interact. energy: -0.312 local terms energy: -214.700418 where: bonds (distance) C4'-P energy: -52.553 bonds (distance) P-C4' energy: -59.477 flat angles C4'-P-C4' energy: -42.815 flat angles P-C4'-P energy: -31.337 tors. eta vs tors. theta energy: -28.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -1175.581734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.581734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.581734 (E_RNA) where: Base-Base interactions energy: -806.144 where: short stacking energy: -335.205 Base-Backbone interact. energy: -0.315 local terms energy: -369.121975 where: bonds (distance) C4'-P energy: -62.707 bonds (distance) P-C4' energy: -67.490 flat angles C4'-P-C4' energy: -76.954 flat angles P-C4'-P energy: -55.670 tors. eta vs tors. theta energy: -106.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -1085.309840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.309840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.309840 (E_RNA) where: Base-Base interactions energy: -757.336 where: short stacking energy: -304.105 Base-Backbone interact. energy: -0.221 local terms energy: -327.752986 where: bonds (distance) C4'-P energy: -58.665 bonds (distance) P-C4' energy: -57.552 flat angles C4'-P-C4' energy: -69.663 flat angles P-C4'-P energy: -45.724 tors. eta vs tors. theta energy: -96.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -1011.628472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.628472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.628472 (E_RNA) where: Base-Base interactions energy: -700.918 where: short stacking energy: -316.928 Base-Backbone interact. energy: -1.238 local terms energy: -309.472791 where: bonds (distance) C4'-P energy: -49.957 bonds (distance) P-C4' energy: -62.936 flat angles C4'-P-C4' energy: -69.702 flat angles P-C4'-P energy: -39.932 tors. eta vs tors. theta energy: -86.945 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: 1 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -1008.214159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.214159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.214159 (E_RNA) where: Base-Base interactions energy: -696.918 where: short stacking energy: -306.919 Base-Backbone interact. energy: -0.313 local terms energy: -310.982994 where: bonds (distance) C4'-P energy: -64.245 bonds (distance) P-C4' energy: -58.725 flat angles C4'-P-C4' energy: -61.595 flat angles P-C4'-P energy: -39.656 tors. eta vs tors. theta energy: -86.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -931.589875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.589875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.589875 (E_RNA) where: Base-Base interactions energy: -646.856 where: short stacking energy: -291.846 Base-Backbone interact. energy: 4.135 local terms energy: -288.869396 where: bonds (distance) C4'-P energy: -52.614 bonds (distance) P-C4' energy: -55.134 flat angles C4'-P-C4' energy: -66.485 flat angles P-C4'-P energy: -32.662 tors. eta vs tors. theta energy: -81.975 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: 8 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -831.926880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.926880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.926880 (E_RNA) where: Base-Base interactions energy: -542.545 where: short stacking energy: -231.612 Base-Backbone interact. energy: -1.768 local terms energy: -287.614088 where: bonds (distance) C4'-P energy: -56.722 bonds (distance) P-C4' energy: -53.418 flat angles C4'-P-C4' energy: -63.224 flat angles P-C4'-P energy: -44.069 tors. eta vs tors. theta energy: -70.181 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: 9 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -745.338620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.338620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.338620 (E_RNA) where: Base-Base interactions energy: -481.065 where: short stacking energy: -200.131 Base-Backbone interact. energy: -1.384 local terms energy: -262.889892 where: bonds (distance) C4'-P energy: -59.649 bonds (distance) P-C4' energy: -48.883 flat angles C4'-P-C4' energy: -62.118 flat angles P-C4'-P energy: -43.185 tors. eta vs tors. theta energy: -49.056 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: 6 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -561.219830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.219830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.219830 (E_RNA) where: Base-Base interactions energy: -337.538 where: short stacking energy: -148.583 Base-Backbone interact. energy: -1.244 local terms energy: -222.437248 where: bonds (distance) C4'-P energy: -48.728 bonds (distance) P-C4' energy: -56.581 flat angles C4'-P-C4' energy: -59.528 flat angles P-C4'-P energy: -33.039 tors. eta vs tors. theta energy: -24.561 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: 4 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -608.971123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.971123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.971123 (E_RNA) where: Base-Base interactions energy: -360.599 where: short stacking energy: -164.582 Base-Backbone interact. energy: -0.403 local terms energy: -247.968549 where: bonds (distance) C4'-P energy: -50.601 bonds (distance) P-C4' energy: -59.511 flat angles C4'-P-C4' energy: -61.837 flat angles P-C4'-P energy: -39.429 tors. eta vs tors. theta energy: -36.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -507.278094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.278094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.278094 (E_RNA) where: Base-Base interactions energy: -305.765 where: short stacking energy: -148.796 Base-Backbone interact. energy: -0.710 local terms energy: -200.802240 where: bonds (distance) C4'-P energy: -54.434 bonds (distance) P-C4' energy: -48.516 flat angles C4'-P-C4' energy: -46.937 flat angles P-C4'-P energy: -20.481 tors. eta vs tors. theta energy: -30.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -1150.898199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.898199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.898199 (E_RNA) where: Base-Base interactions energy: -787.804 where: short stacking energy: -337.439 Base-Backbone interact. energy: -1.374 local terms energy: -361.719677 where: bonds (distance) C4'-P energy: -61.326 bonds (distance) P-C4' energy: -65.578 flat angles C4'-P-C4' energy: -73.450 flat angles P-C4'-P energy: -56.906 tors. eta vs tors. theta energy: -104.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -1096.127178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.127178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.127178 (E_RNA) where: Base-Base interactions energy: -760.924 where: short stacking energy: -320.569 Base-Backbone interact. energy: -1.329 local terms energy: -333.874069 where: bonds (distance) C4'-P energy: -61.451 bonds (distance) P-C4' energy: -66.718 flat angles C4'-P-C4' energy: -73.207 flat angles P-C4'-P energy: -41.094 tors. eta vs tors. theta energy: -91.405 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: 5 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -1032.131336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.131336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.131336 (E_RNA) where: Base-Base interactions energy: -708.783 where: short stacking energy: -310.083 Base-Backbone interact. energy: 0.076 local terms energy: -323.424778 where: bonds (distance) C4'-P energy: -63.176 bonds (distance) P-C4' energy: -56.419 flat angles C4'-P-C4' energy: -70.230 flat angles P-C4'-P energy: -44.959 tors. eta vs tors. theta energy: -88.640 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: 1 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -1001.871189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.871189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.871189 (E_RNA) where: Base-Base interactions energy: -678.668 where: short stacking energy: -296.935 Base-Backbone interact. energy: -0.718 local terms energy: -322.485976 where: bonds (distance) C4'-P energy: -54.338 bonds (distance) P-C4' energy: -57.634 flat angles C4'-P-C4' energy: -61.549 flat angles P-C4'-P energy: -57.402 tors. eta vs tors. theta energy: -91.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -942.362552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.362552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.362552 (E_RNA) where: Base-Base interactions energy: -644.344 where: short stacking energy: -261.489 Base-Backbone interact. energy: -0.492 local terms energy: -297.527180 where: bonds (distance) C4'-P energy: -53.846 bonds (distance) P-C4' energy: -62.871 flat angles C4'-P-C4' energy: -67.992 flat angles P-C4'-P energy: -40.799 tors. eta vs tors. theta energy: -72.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -877.937819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.937819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.937819 (E_RNA) where: Base-Base interactions energy: -581.442 where: short stacking energy: -250.921 Base-Backbone interact. energy: -1.187 local terms energy: -295.308954 where: bonds (distance) C4'-P energy: -55.714 bonds (distance) P-C4' energy: -62.058 flat angles C4'-P-C4' energy: -69.327 flat angles P-C4'-P energy: -45.020 tors. eta vs tors. theta energy: -63.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -729.166550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.166550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.166550 (E_RNA) where: Base-Base interactions energy: -467.454 where: short stacking energy: -220.220 Base-Backbone interact. energy: -0.491 local terms energy: -261.221713 where: bonds (distance) C4'-P energy: -47.496 bonds (distance) P-C4' energy: -59.701 flat angles C4'-P-C4' energy: -55.912 flat angles P-C4'-P energy: -39.000 tors. eta vs tors. theta energy: -59.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -606.391856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.391856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.391856 (E_RNA) where: Base-Base interactions energy: -375.859 where: short stacking energy: -187.006 Base-Backbone interact. energy: 0.299 local terms energy: -230.831993 where: bonds (distance) C4'-P energy: -55.695 bonds (distance) P-C4' energy: -49.901 flat angles C4'-P-C4' energy: -48.258 flat angles P-C4'-P energy: -38.562 tors. eta vs tors. theta energy: -38.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -591.637242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.637242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.637242 (E_RNA) where: Base-Base interactions energy: -367.845 where: short stacking energy: -176.438 Base-Backbone interact. energy: -2.846 local terms energy: -220.945371 where: bonds (distance) C4'-P energy: -56.449 bonds (distance) P-C4' energy: -51.114 flat angles C4'-P-C4' energy: -46.269 flat angles P-C4'-P energy: -21.598 tors. eta vs tors. theta energy: -45.516 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: 10 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -500.977592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.977592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.977592 (E_RNA) where: Base-Base interactions energy: -299.350 where: short stacking energy: -143.865 Base-Backbone interact. energy: -0.010 local terms energy: -201.617879 where: bonds (distance) C4'-P energy: -52.666 bonds (distance) P-C4' energy: -47.846 flat angles C4'-P-C4' energy: -52.553 flat angles P-C4'-P energy: -37.997 tors. eta vs tors. theta energy: -10.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -1155.785018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.785018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.785018 (E_RNA) where: Base-Base interactions energy: -809.908 where: short stacking energy: -344.618 Base-Backbone interact. energy: -0.632 local terms energy: -345.244689 where: bonds (distance) C4'-P energy: -55.127 bonds (distance) P-C4' energy: -58.743 flat angles C4'-P-C4' energy: -74.699 flat angles P-C4'-P energy: -53.778 tors. eta vs tors. theta energy: -102.897 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: 270 Temperature: 0.950000 Total energy: -1097.454463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.454463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.454463 (E_RNA) where: Base-Base interactions energy: -761.285 where: short stacking energy: -303.294 Base-Backbone interact. energy: -0.415 local terms energy: -335.754526 where: bonds (distance) C4'-P energy: -63.063 bonds (distance) P-C4' energy: -58.915 flat angles C4'-P-C4' energy: -67.190 flat angles P-C4'-P energy: -52.622 tors. eta vs tors. theta energy: -93.966 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: 270 Temperature: 1.000000 Total energy: -1031.767612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.767612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.767612 (E_RNA) where: Base-Base interactions energy: -708.197 where: short stacking energy: -306.663 Base-Backbone interact. energy: -2.125 local terms energy: -321.445841 where: bonds (distance) C4'-P energy: -56.592 bonds (distance) P-C4' energy: -56.147 flat angles C4'-P-C4' energy: -73.245 flat angles P-C4'-P energy: -42.149 tors. eta vs tors. theta energy: -93.313 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: 4, replica: 1 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -1000.780224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.780224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.780224 (E_RNA) where: Base-Base interactions energy: -666.672 where: short stacking energy: -290.218 Base-Backbone interact. energy: -1.536 local terms energy: -332.572423 where: bonds (distance) C4'-P energy: -59.411 bonds (distance) P-C4' energy: -57.657 flat angles C4'-P-C4' energy: -73.955 flat angles P-C4'-P energy: -46.404 tors. eta vs tors. theta energy: -95.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -936.385373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.385373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.385373 (E_RNA) where: Base-Base interactions energy: -631.177 where: short stacking energy: -274.492 Base-Backbone interact. energy: -0.136 local terms energy: -305.072906 where: bonds (distance) C4'-P energy: -56.692 bonds (distance) P-C4' energy: -58.774 flat angles C4'-P-C4' energy: -72.411 flat angles P-C4'-P energy: -38.856 tors. eta vs tors. theta energy: -78.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -907.172118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.172118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.172118 (E_RNA) where: Base-Base interactions energy: -611.638 where: short stacking energy: -262.171 Base-Backbone interact. energy: -0.527 local terms energy: -295.006982 where: bonds (distance) C4'-P energy: -50.010 bonds (distance) P-C4' energy: -58.762 flat angles C4'-P-C4' energy: -62.541 flat angles P-C4'-P energy: -49.214 tors. eta vs tors. theta energy: -74.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -728.772426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.772426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.772426 (E_RNA) where: Base-Base interactions energy: -471.331 where: short stacking energy: -207.223 Base-Backbone interact. energy: 0.025 local terms energy: -257.467105 where: bonds (distance) C4'-P energy: -52.000 bonds (distance) P-C4' energy: -53.398 flat angles C4'-P-C4' energy: -62.337 flat angles P-C4'-P energy: -38.255 tors. eta vs tors. theta energy: -51.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -618.118837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.118837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.118837 (E_RNA) where: Base-Base interactions energy: -397.794 where: short stacking energy: -186.252 Base-Backbone interact. energy: -0.836 local terms energy: -219.488986 where: bonds (distance) C4'-P energy: -63.555 bonds (distance) P-C4' energy: -45.838 flat angles C4'-P-C4' energy: -49.477 flat angles P-C4'-P energy: -18.553 tors. eta vs tors. theta energy: -42.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -573.057512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.057512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.057512 (E_RNA) where: Base-Base interactions energy: -344.846 where: short stacking energy: -168.806 Base-Backbone interact. energy: -0.598 local terms energy: -227.613192 where: bonds (distance) C4'-P energy: -54.397 bonds (distance) P-C4' energy: -54.367 flat angles C4'-P-C4' energy: -49.188 flat angles P-C4'-P energy: -31.465 tors. eta vs tors. theta energy: -38.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -529.665876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.665876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.665876 (E_RNA) where: Base-Base interactions energy: -298.246 where: short stacking energy: -145.005 Base-Backbone interact. energy: -1.827 local terms energy: -229.593075 where: bonds (distance) C4'-P energy: -47.844 bonds (distance) P-C4' energy: -57.923 flat angles C4'-P-C4' energy: -57.923 flat angles P-C4'-P energy: -43.199 tors. eta vs tors. theta energy: -22.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -1152.665133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.665133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.665133 (E_RNA) where: Base-Base interactions energy: -808.743 where: short stacking energy: -351.839 Base-Backbone interact. energy: -0.797 local terms energy: -343.125031 where: bonds (distance) C4'-P energy: -62.326 bonds (distance) P-C4' energy: -54.238 flat angles C4'-P-C4' energy: -74.766 flat angles P-C4'-P energy: -49.962 tors. eta vs tors. theta energy: -101.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -1080.623536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.623536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.623536 (E_RNA) where: Base-Base interactions energy: -746.954 where: short stacking energy: -317.754 Base-Backbone interact. energy: -1.111 local terms energy: -332.558511 where: bonds (distance) C4'-P energy: -62.613 bonds (distance) P-C4' energy: -62.534 flat angles C4'-P-C4' energy: -66.255 flat angles P-C4'-P energy: -43.604 tors. eta vs tors. theta energy: -97.552 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: 5 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -1051.722647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.722647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.722647 (E_RNA) where: Base-Base interactions energy: -715.582 where: short stacking energy: -320.971 Base-Backbone interact. energy: -0.923 local terms energy: -335.217386 where: bonds (distance) C4'-P energy: -60.189 bonds (distance) P-C4' energy: -59.097 flat angles C4'-P-C4' energy: -74.556 flat angles P-C4'-P energy: -52.386 tors. eta vs tors. theta energy: -88.989 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: 1 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -997.017701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.017701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.017701 (E_RNA) where: Base-Base interactions energy: -682.596 where: short stacking energy: -293.972 Base-Backbone interact. energy: 1.073 local terms energy: -315.493986 where: bonds (distance) C4'-P energy: -59.134 bonds (distance) P-C4' energy: -57.482 flat angles C4'-P-C4' energy: -70.553 flat angles P-C4'-P energy: -40.864 tors. eta vs tors. theta energy: -87.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -925.724076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.724076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.724076 (E_RNA) where: Base-Base interactions energy: -624.275 where: short stacking energy: -273.482 Base-Backbone interact. energy: -1.975 local terms energy: -299.474059 where: bonds (distance) C4'-P energy: -55.833 bonds (distance) P-C4' energy: -56.523 flat angles C4'-P-C4' energy: -66.127 flat angles P-C4'-P energy: -41.074 tors. eta vs tors. theta energy: -79.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -869.875965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.875965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.875965 (E_RNA) where: Base-Base interactions energy: -596.844 where: short stacking energy: -266.921 Base-Backbone interact. energy: -0.185 local terms energy: -272.847069 where: bonds (distance) C4'-P energy: -44.959 bonds (distance) P-C4' energy: -44.644 flat angles C4'-P-C4' energy: -69.382 flat angles P-C4'-P energy: -27.369 tors. eta vs tors. theta energy: -86.494 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: 9 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -755.504603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.504603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.504603 (E_RNA) where: Base-Base interactions energy: -494.604 where: short stacking energy: -210.761 Base-Backbone interact. energy: -1.036 local terms energy: -259.864358 where: bonds (distance) C4'-P energy: -46.017 bonds (distance) P-C4' energy: -53.925 flat angles C4'-P-C4' energy: -56.910 flat angles P-C4'-P energy: -45.919 tors. eta vs tors. theta energy: -57.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -600.917656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.917656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.917656 (E_RNA) where: Base-Base interactions energy: -378.202 where: short stacking energy: -166.334 Base-Backbone interact. energy: -0.228 local terms energy: -222.488348 where: bonds (distance) C4'-P energy: -47.269 bonds (distance) P-C4' energy: -59.657 flat angles C4'-P-C4' energy: -53.784 flat angles P-C4'-P energy: -35.168 tors. eta vs tors. theta energy: -26.611 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: 6 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -571.769281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.769281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.769281 (E_RNA) where: Base-Base interactions energy: -350.163 where: short stacking energy: -163.814 Base-Backbone interact. energy: -0.414 local terms energy: -221.192111 where: bonds (distance) C4'-P energy: -56.809 bonds (distance) P-C4' energy: -54.757 flat angles C4'-P-C4' energy: -48.160 flat angles P-C4'-P energy: -39.147 tors. eta vs tors. theta energy: -22.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -509.872889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.872889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.872889 (E_RNA) where: Base-Base interactions energy: -298.383 where: short stacking energy: -136.692 Base-Backbone interact. energy: -0.601 local terms energy: -210.888317 where: bonds (distance) C4'-P energy: -65.212 bonds (distance) P-C4' energy: -45.011 flat angles C4'-P-C4' energy: -50.114 flat angles P-C4'-P energy: -29.100 tors. eta vs tors. theta energy: -21.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -1169.180056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.180056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.180056 (E_RNA) where: Base-Base interactions energy: -813.352 where: short stacking energy: -349.781 Base-Backbone interact. energy: 0.128 local terms energy: -355.955610 where: bonds (distance) C4'-P energy: -52.110 bonds (distance) P-C4' energy: -63.154 flat angles C4'-P-C4' energy: -76.588 flat angles P-C4'-P energy: -52.240 tors. eta vs tors. theta energy: -111.863 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: 272 Temperature: 0.950000 Total energy: -1080.826053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.826053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.826053 (E_RNA) where: Base-Base interactions energy: -763.878 where: short stacking energy: -314.515 Base-Backbone interact. energy: 1.564 local terms energy: -318.511222 where: bonds (distance) C4'-P energy: -54.784 bonds (distance) P-C4' energy: -66.709 flat angles C4'-P-C4' energy: -64.487 flat angles P-C4'-P energy: -37.659 tors. eta vs tors. theta energy: -94.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -1007.476833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.476833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.476833 (E_RNA) where: Base-Base interactions energy: -684.047 where: short stacking energy: -293.079 Base-Backbone interact. energy: -0.181 local terms energy: -323.248755 where: bonds (distance) C4'-P energy: -64.260 bonds (distance) P-C4' energy: -57.921 flat angles C4'-P-C4' energy: -64.062 flat angles P-C4'-P energy: -45.366 tors. eta vs tors. theta energy: -91.640 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: 5 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -1000.559085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.559085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.559085 (E_RNA) where: Base-Base interactions energy: -690.794 where: short stacking energy: -300.378 Base-Backbone interact. energy: -2.424 local terms energy: -307.341347 where: bonds (distance) C4'-P energy: -64.667 bonds (distance) P-C4' energy: -56.199 flat angles C4'-P-C4' energy: -61.070 flat angles P-C4'-P energy: -38.514 tors. eta vs tors. theta energy: -86.892 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: 7 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -948.209708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.209708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.209708 (E_RNA) where: Base-Base interactions energy: -625.687 where: short stacking energy: -265.608 Base-Backbone interact. energy: -0.266 local terms energy: -322.256515 where: bonds (distance) C4'-P energy: -64.146 bonds (distance) P-C4' energy: -56.340 flat angles C4'-P-C4' energy: -72.583 flat angles P-C4'-P energy: -44.492 tors. eta vs tors. theta energy: -84.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -894.857884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.857884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.857884 (E_RNA) where: Base-Base interactions energy: -617.705 where: short stacking energy: -254.807 Base-Backbone interact. energy: -0.290 local terms energy: -276.863121 where: bonds (distance) C4'-P energy: -47.112 bonds (distance) P-C4' energy: -62.056 flat angles C4'-P-C4' energy: -55.381 flat angles P-C4'-P energy: -39.642 tors. eta vs tors. theta energy: -72.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -713.561653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.561653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.561653 (E_RNA) where: Base-Base interactions energy: -446.529 where: short stacking energy: -213.115 Base-Backbone interact. energy: -1.276 local terms energy: -265.757085 where: bonds (distance) C4'-P energy: -63.960 bonds (distance) P-C4' energy: -56.368 flat angles C4'-P-C4' energy: -59.547 flat angles P-C4'-P energy: -32.883 tors. eta vs tors. theta energy: -52.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -629.513618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.513618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.513618 (E_RNA) where: Base-Base interactions energy: -389.331 where: short stacking energy: -204.359 Base-Backbone interact. energy: -1.253 local terms energy: -238.929348 where: bonds (distance) C4'-P energy: -51.850 bonds (distance) P-C4' energy: -56.265 flat angles C4'-P-C4' energy: -57.575 flat angles P-C4'-P energy: -29.897 tors. eta vs tors. theta energy: -43.342 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: 9, replica: 10 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -565.826869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.826869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.826869 (E_RNA) where: Base-Base interactions energy: -351.275 where: short stacking energy: -153.298 Base-Backbone interact. energy: -3.318 local terms energy: -211.234095 where: bonds (distance) C4'-P energy: -53.332 bonds (distance) P-C4' energy: -42.097 flat angles C4'-P-C4' energy: -61.047 flat angles P-C4'-P energy: -33.267 tors. eta vs tors. theta energy: -21.492 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: 6 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -521.818191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.818191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.818191 (E_RNA) where: Base-Base interactions energy: -295.501 where: short stacking energy: -141.595 Base-Backbone interact. energy: 0.689 local terms energy: -227.005501 where: bonds (distance) C4'-P energy: -53.268 bonds (distance) P-C4' energy: -61.318 flat angles C4'-P-C4' energy: -53.208 flat angles P-C4'-P energy: -32.711 tors. eta vs tors. theta energy: -26.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -1170.431255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.431255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.431255 (E_RNA) where: Base-Base interactions energy: -827.108 where: short stacking energy: -374.296 Base-Backbone interact. energy: -1.013 local terms energy: -342.310059 where: bonds (distance) C4'-P energy: -61.045 bonds (distance) P-C4' energy: -53.766 flat angles C4'-P-C4' energy: -66.654 flat angles P-C4'-P energy: -50.126 tors. eta vs tors. theta energy: -110.719 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: 273 Temperature: 0.950000 Total energy: -1090.840961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.840961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.840961 (E_RNA) where: Base-Base interactions energy: -758.669 where: short stacking energy: -314.752 Base-Backbone interact. energy: -2.167 local terms energy: -330.004521 where: bonds (distance) C4'-P energy: -57.112 bonds (distance) P-C4' energy: -70.137 flat angles C4'-P-C4' energy: -69.615 flat angles P-C4'-P energy: -35.427 tors. eta vs tors. theta energy: -97.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -1023.619982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.619982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.619982 (E_RNA) where: Base-Base interactions energy: -702.079 where: short stacking energy: -313.887 Base-Backbone interact. energy: 1.607 local terms energy: -323.147090 where: bonds (distance) C4'-P energy: -51.381 bonds (distance) P-C4' energy: -61.566 flat angles C4'-P-C4' energy: -68.791 flat angles P-C4'-P energy: -49.893 tors. eta vs tors. theta energy: -91.517 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: 5 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -966.488337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.488337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.488337 (E_RNA) where: Base-Base interactions energy: -658.299 where: short stacking energy: -291.967 Base-Backbone interact. energy: 1.059 local terms energy: -309.248159 where: bonds (distance) C4'-P energy: -48.499 bonds (distance) P-C4' energy: -63.319 flat angles C4'-P-C4' energy: -73.997 flat angles P-C4'-P energy: -42.246 tors. eta vs tors. theta energy: -81.186 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: 7 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -944.493657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.493657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.493657 (E_RNA) where: Base-Base interactions energy: -636.603 where: short stacking energy: -262.242 Base-Backbone interact. energy: -1.436 local terms energy: -306.454916 where: bonds (distance) C4'-P energy: -61.079 bonds (distance) P-C4' energy: -64.179 flat angles C4'-P-C4' energy: -71.126 flat angles P-C4'-P energy: -30.530 tors. eta vs tors. theta energy: -79.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -907.318658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.318658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.318658 (E_RNA) where: Base-Base interactions energy: -620.414 where: short stacking energy: -258.749 Base-Backbone interact. energy: 0.555 local terms energy: -287.458767 where: bonds (distance) C4'-P energy: -62.628 bonds (distance) P-C4' energy: -62.369 flat angles C4'-P-C4' energy: -59.810 flat angles P-C4'-P energy: -31.707 tors. eta vs tors. theta energy: -70.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -723.847964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.847964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.847964 (E_RNA) where: Base-Base interactions energy: -470.891 where: short stacking energy: -207.989 Base-Backbone interact. energy: -0.822 local terms energy: -252.135299 where: bonds (distance) C4'-P energy: -45.380 bonds (distance) P-C4' energy: -59.914 flat angles C4'-P-C4' energy: -55.614 flat angles P-C4'-P energy: -32.235 tors. eta vs tors. theta energy: -58.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -602.826594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.826594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.826594 (E_RNA) where: Base-Base interactions energy: -369.451 where: short stacking energy: -177.010 Base-Backbone interact. energy: -1.159 local terms energy: -232.217437 where: bonds (distance) C4'-P energy: -46.799 bonds (distance) P-C4' energy: -62.316 flat angles C4'-P-C4' energy: -53.442 flat angles P-C4'-P energy: -34.061 tors. eta vs tors. theta energy: -35.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -562.060977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.060977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.060977 (E_RNA) where: Base-Base interactions energy: -349.074 where: short stacking energy: -166.094 Base-Backbone interact. energy: 0.460 local terms energy: -213.446767 where: bonds (distance) C4'-P energy: -36.841 bonds (distance) P-C4' energy: -58.192 flat angles C4'-P-C4' energy: -50.421 flat angles P-C4'-P energy: -39.571 tors. eta vs tors. theta energy: -28.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -518.299634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.299634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.299634 (E_RNA) where: Base-Base interactions energy: -295.673 where: short stacking energy: -154.668 Base-Backbone interact. energy: -1.162 local terms energy: -221.464736 where: bonds (distance) C4'-P energy: -48.521 bonds (distance) P-C4' energy: -69.060 flat angles C4'-P-C4' energy: -47.739 flat angles P-C4'-P energy: -26.093 tors. eta vs tors. theta energy: -30.053 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: 1, replica: 2 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -1189.694792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.694792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.694792 (E_RNA) where: Base-Base interactions energy: -820.310 where: short stacking energy: -351.707 Base-Backbone interact. energy: -1.032 local terms energy: -368.352758 where: bonds (distance) C4'-P energy: -65.627 bonds (distance) P-C4' energy: -66.877 flat angles C4'-P-C4' energy: -74.651 flat angles P-C4'-P energy: -53.865 tors. eta vs tors. theta energy: -107.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -1083.594145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.594145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.594145 (E_RNA) where: Base-Base interactions energy: -756.460 where: short stacking energy: -321.089 Base-Backbone interact. energy: -0.848 local terms energy: -326.286380 where: bonds (distance) C4'-P energy: -63.928 bonds (distance) P-C4' energy: -59.420 flat angles C4'-P-C4' energy: -61.839 flat angles P-C4'-P energy: -46.348 tors. eta vs tors. theta energy: -94.752 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: 3, replica: 1 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -1044.170240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.170240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.170240 (E_RNA) where: Base-Base interactions energy: -703.674 where: short stacking energy: -320.755 Base-Backbone interact. energy: -1.212 local terms energy: -339.284762 where: bonds (distance) C4'-P energy: -55.414 bonds (distance) P-C4' energy: -69.273 flat angles C4'-P-C4' energy: -61.750 flat angles P-C4'-P energy: -50.735 tors. eta vs tors. theta energy: -102.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -975.109771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.109771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.109771 (E_RNA) where: Base-Base interactions energy: -678.202 where: short stacking energy: -303.163 Base-Backbone interact. energy: 2.127 local terms energy: -299.034242 where: bonds (distance) C4'-P energy: -56.291 bonds (distance) P-C4' energy: -58.868 flat angles C4'-P-C4' energy: -59.820 flat angles P-C4'-P energy: -44.356 tors. eta vs tors. theta energy: -79.699 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: 8 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -881.854824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.854824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.854824 (E_RNA) where: Base-Base interactions energy: -575.844 where: short stacking energy: -265.766 Base-Backbone interact. energy: -0.326 local terms energy: -305.685018 where: bonds (distance) C4'-P energy: -57.875 bonds (distance) P-C4' energy: -59.134 flat angles C4'-P-C4' energy: -68.378 flat angles P-C4'-P energy: -46.724 tors. eta vs tors. theta energy: -73.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -942.464627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.464627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.464627 (E_RNA) where: Base-Base interactions energy: -630.470 where: short stacking energy: -289.329 Base-Backbone interact. energy: -1.865 local terms energy: -310.128756 where: bonds (distance) C4'-P energy: -53.206 bonds (distance) P-C4' energy: -52.401 flat angles C4'-P-C4' energy: -69.059 flat angles P-C4'-P energy: -51.575 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: 7, replica: 9 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -741.556022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.556022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.556022 (E_RNA) where: Base-Base interactions energy: -483.536 where: short stacking energy: -225.609 Base-Backbone interact. energy: -0.884 local terms energy: -257.136462 where: bonds (distance) C4'-P energy: -45.934 bonds (distance) P-C4' energy: -61.867 flat angles C4'-P-C4' energy: -60.318 flat angles P-C4'-P energy: -28.936 tors. eta vs tors. theta energy: -60.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -600.573450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.573450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.573450 (E_RNA) where: Base-Base interactions energy: -371.674 where: short stacking energy: -160.907 Base-Backbone interact. energy: 0.480 local terms energy: -229.378701 where: bonds (distance) C4'-P energy: -38.869 bonds (distance) P-C4' energy: -53.336 flat angles C4'-P-C4' energy: -56.923 flat angles P-C4'-P energy: -48.381 tors. eta vs tors. theta energy: -31.870 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: 10 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -576.035396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.035396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.035396 (E_RNA) where: Base-Base interactions energy: -345.551 where: short stacking energy: -172.762 Base-Backbone interact. energy: -1.189 local terms energy: -229.295997 where: bonds (distance) C4'-P energy: -65.206 bonds (distance) P-C4' energy: -47.306 flat angles C4'-P-C4' energy: -57.628 flat angles P-C4'-P energy: -22.232 tors. eta vs tors. theta energy: -36.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -506.302481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.302481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.302481 (E_RNA) where: Base-Base interactions energy: -316.291 where: short stacking energy: -161.482 Base-Backbone interact. energy: -0.962 local terms energy: -189.049341 where: bonds (distance) C4'-P energy: -43.488 bonds (distance) P-C4' energy: -50.669 flat angles C4'-P-C4' energy: -48.239 flat angles P-C4'-P energy: -26.142 tors. eta vs tors. theta energy: -20.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -1172.885607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.885607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.885607 (E_RNA) where: Base-Base interactions energy: -822.249 where: short stacking energy: -348.165 Base-Backbone interact. energy: -0.536 local terms energy: -350.100531 where: bonds (distance) C4'-P energy: -63.296 bonds (distance) P-C4' energy: -62.610 flat angles C4'-P-C4' energy: -76.407 flat angles P-C4'-P energy: -42.548 tors. eta vs tors. theta energy: -105.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -1098.624960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.624960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.624960 (E_RNA) where: Base-Base interactions energy: -750.641 where: short stacking energy: -317.588 Base-Backbone interact. energy: -1.439 local terms energy: -346.544122 where: bonds (distance) C4'-P energy: -63.470 bonds (distance) P-C4' energy: -70.225 flat angles C4'-P-C4' energy: -67.389 flat angles P-C4'-P energy: -50.837 tors. eta vs tors. theta energy: -94.623 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: 1 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -1049.060600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.060600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.060600 (E_RNA) where: Base-Base interactions energy: -718.126 where: short stacking energy: -315.555 Base-Backbone interact. energy: -1.552 local terms energy: -329.382015 where: bonds (distance) C4'-P energy: -63.205 bonds (distance) P-C4' energy: -66.745 flat angles C4'-P-C4' energy: -62.967 flat angles P-C4'-P energy: -36.654 tors. eta vs tors. theta energy: -99.811 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: 4, replica: 5 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -991.373477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.373477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.373477 (E_RNA) where: Base-Base interactions energy: -693.433 where: short stacking energy: -311.977 Base-Backbone interact. energy: -1.279 local terms energy: -296.661100 where: bonds (distance) C4'-P energy: -51.060 bonds (distance) P-C4' energy: -53.836 flat angles C4'-P-C4' energy: -60.366 flat angles P-C4'-P energy: -48.554 tors. eta vs tors. theta energy: -82.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -892.561835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.561835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.561835 (E_RNA) where: Base-Base interactions energy: -595.545 where: short stacking energy: -249.913 Base-Backbone interact. energy: -0.697 local terms energy: -296.319625 where: bonds (distance) C4'-P energy: -59.463 bonds (distance) P-C4' energy: -66.934 flat angles C4'-P-C4' energy: -57.566 flat angles P-C4'-P energy: -34.713 tors. eta vs tors. theta energy: -77.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -917.813641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.813641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.813641 (E_RNA) where: Base-Base interactions energy: -631.646 where: short stacking energy: -251.530 Base-Backbone interact. energy: -0.593 local terms energy: -285.573871 where: bonds (distance) C4'-P energy: -53.857 bonds (distance) P-C4' energy: -55.150 flat angles C4'-P-C4' energy: -61.438 flat angles P-C4'-P energy: -42.521 tors. eta vs tors. theta energy: -72.608 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: 9 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -722.481770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.481770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.481770 (E_RNA) where: Base-Base interactions energy: -447.739 where: short stacking energy: -210.211 Base-Backbone interact. energy: -0.788 local terms energy: -273.954476 where: bonds (distance) C4'-P energy: -58.833 bonds (distance) P-C4' energy: -67.062 flat angles C4'-P-C4' energy: -57.039 flat angles P-C4'-P energy: -40.537 tors. eta vs tors. theta energy: -50.483 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: 8, replica: 4 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -621.044316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.044316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.044316 (E_RNA) where: Base-Base interactions energy: -373.562 where: short stacking energy: -183.963 Base-Backbone interact. energy: -0.183 local terms energy: -247.299387 where: bonds (distance) C4'-P energy: -49.439 bonds (distance) P-C4' energy: -57.920 flat angles C4'-P-C4' energy: -69.618 flat angles P-C4'-P energy: -25.808 tors. eta vs tors. theta energy: -44.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -600.326600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.326600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.326600 (E_RNA) where: Base-Base interactions energy: -362.628 where: short stacking energy: -162.449 Base-Backbone interact. energy: -2.019 local terms energy: -235.679566 where: bonds (distance) C4'-P energy: -54.595 bonds (distance) P-C4' energy: -55.426 flat angles C4'-P-C4' energy: -56.138 flat angles P-C4'-P energy: -29.440 tors. eta vs tors. theta energy: -40.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -472.435572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.435572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.435572 (E_RNA) where: Base-Base interactions energy: -269.403 where: short stacking energy: -146.838 Base-Backbone interact. energy: -1.588 local terms energy: -201.444158 where: bonds (distance) C4'-P energy: -28.205 bonds (distance) P-C4' energy: -68.551 flat angles C4'-P-C4' energy: -56.958 flat angles P-C4'-P energy: -25.076 tors. eta vs tors. theta energy: -22.654 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: 2 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -1168.506521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.506521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.506521 (E_RNA) where: Base-Base interactions energy: -802.615 where: short stacking energy: -339.551 Base-Backbone interact. energy: -2.433 local terms energy: -363.457753 where: bonds (distance) C4'-P energy: -62.311 bonds (distance) P-C4' energy: -57.522 flat angles C4'-P-C4' energy: -77.160 flat angles P-C4'-P energy: -58.046 tors. eta vs tors. theta energy: -108.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -1080.479770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.479770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.479770 (E_RNA) where: Base-Base interactions energy: -750.361 where: short stacking energy: -315.251 Base-Backbone interact. energy: -0.676 local terms energy: -329.441969 where: bonds (distance) C4'-P energy: -58.801 bonds (distance) P-C4' energy: -57.246 flat angles C4'-P-C4' energy: -69.784 flat angles P-C4'-P energy: -51.406 tors. eta vs tors. theta energy: -92.204 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: 3, replica: 5 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -1035.281751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.281751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.281751 (E_RNA) where: Base-Base interactions energy: -727.071 where: short stacking energy: -313.070 Base-Backbone interact. energy: -1.568 local terms energy: -306.641942 where: bonds (distance) C4'-P energy: -50.002 bonds (distance) P-C4' energy: -68.102 flat angles C4'-P-C4' energy: -63.611 flat angles P-C4'-P energy: -38.438 tors. eta vs tors. theta energy: -86.490 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: 1 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -1009.901531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.901531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.901531 (E_RNA) where: Base-Base interactions energy: -671.057 where: short stacking energy: -284.845 Base-Backbone interact. energy: -2.948 local terms energy: -335.896363 where: bonds (distance) C4'-P energy: -56.558 bonds (distance) P-C4' energy: -65.682 flat angles C4'-P-C4' energy: -67.555 flat angles P-C4'-P energy: -54.760 tors. eta vs tors. theta energy: -91.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -930.985189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.985189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.985189 (E_RNA) where: Base-Base interactions energy: -641.589 where: short stacking energy: -271.520 Base-Backbone interact. energy: -1.713 local terms energy: -287.683829 where: bonds (distance) C4'-P energy: -49.507 bonds (distance) P-C4' energy: -64.580 flat angles C4'-P-C4' energy: -62.385 flat angles P-C4'-P energy: -37.545 tors. eta vs tors. theta energy: -73.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -865.523130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.523130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.523130 (E_RNA) where: Base-Base interactions energy: -574.070 where: short stacking energy: -257.047 Base-Backbone interact. energy: -1.208 local terms energy: -290.244598 where: bonds (distance) C4'-P energy: -53.808 bonds (distance) P-C4' energy: -54.490 flat angles C4'-P-C4' energy: -71.748 flat angles P-C4'-P energy: -37.484 tors. eta vs tors. theta energy: -72.715 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: 4 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -679.162148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.162148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.162148 (E_RNA) where: Base-Base interactions energy: -427.566 where: short stacking energy: -182.712 Base-Backbone interact. energy: -0.816 local terms energy: -250.779424 where: bonds (distance) C4'-P energy: -60.531 bonds (distance) P-C4' energy: -54.074 flat angles C4'-P-C4' energy: -58.227 flat angles P-C4'-P energy: -42.625 tors. eta vs tors. theta energy: -35.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -697.870793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.870793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.870793 (E_RNA) where: Base-Base interactions energy: -453.091 where: short stacking energy: -215.095 Base-Backbone interact. energy: 2.417 local terms energy: -247.196375 where: bonds (distance) C4'-P energy: -46.331 bonds (distance) P-C4' energy: -59.978 flat angles C4'-P-C4' energy: -59.531 flat angles P-C4'-P energy: -26.887 tors. eta vs tors. theta energy: -54.470 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: 10 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -530.529342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.529342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.529342 (E_RNA) where: Base-Base interactions energy: -327.676 where: short stacking energy: -157.402 Base-Backbone interact. energy: 5.026 local terms energy: -207.879423 where: bonds (distance) C4'-P energy: -60.076 bonds (distance) P-C4' energy: -46.485 flat angles C4'-P-C4' energy: -46.486 flat angles P-C4'-P energy: -30.459 tors. eta vs tors. theta energy: -24.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -431.842572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.842572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.842572 (E_RNA) where: Base-Base interactions energy: -229.942 where: short stacking energy: -121.804 Base-Backbone interact. energy: -0.778 local terms energy: -201.122857 where: bonds (distance) C4'-P energy: -57.817 bonds (distance) P-C4' energy: -51.542 flat angles C4'-P-C4' energy: -53.938 flat angles P-C4'-P energy: -22.277 tors. eta vs tors. theta energy: -15.548 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: 2 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -1167.473618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.473618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.473618 (E_RNA) where: Base-Base interactions energy: -811.405 where: short stacking energy: -342.997 Base-Backbone interact. energy: 0.904 local terms energy: -356.972658 where: bonds (distance) C4'-P energy: -56.652 bonds (distance) P-C4' energy: -69.398 flat angles C4'-P-C4' energy: -74.075 flat angles P-C4'-P energy: -53.477 tors. eta vs tors. theta energy: -103.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -1077.887147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.887147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.887147 (E_RNA) where: Base-Base interactions energy: -753.686 where: short stacking energy: -319.974 Base-Backbone interact. energy: -0.477 local terms energy: -323.723775 where: bonds (distance) C4'-P energy: -58.577 bonds (distance) P-C4' energy: -58.738 flat angles C4'-P-C4' energy: -71.723 flat angles P-C4'-P energy: -41.370 tors. eta vs tors. theta energy: -93.316 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: 5 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -1020.366619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.366619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.366619 (E_RNA) where: Base-Base interactions energy: -693.759 where: short stacking energy: -314.822 Base-Backbone interact. energy: -1.134 local terms energy: -325.473285 where: bonds (distance) C4'-P energy: -55.329 bonds (distance) P-C4' energy: -67.203 flat angles C4'-P-C4' energy: -69.565 flat angles P-C4'-P energy: -41.120 tors. eta vs tors. theta energy: -92.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -1019.752868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.752868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.752868 (E_RNA) where: Base-Base interactions energy: -692.272 where: short stacking energy: -295.194 Base-Backbone interact. energy: -0.090 local terms energy: -327.390660 where: bonds (distance) C4'-P energy: -61.472 bonds (distance) P-C4' energy: -64.593 flat angles C4'-P-C4' energy: -62.945 flat angles P-C4'-P energy: -47.142 tors. eta vs tors. theta energy: -91.237 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: 5, replica: 7 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -924.231446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.231446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.231446 (E_RNA) where: Base-Base interactions energy: -628.798 where: short stacking energy: -278.803 Base-Backbone interact. energy: -1.424 local terms energy: -294.009592 where: bonds (distance) C4'-P energy: -61.694 bonds (distance) P-C4' energy: -57.122 flat angles C4'-P-C4' energy: -57.187 flat angles P-C4'-P energy: -41.849 tors. eta vs tors. theta energy: -76.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -878.851394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.851394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.851394 (E_RNA) where: Base-Base interactions energy: -572.174 where: short stacking energy: -258.780 Base-Backbone interact. energy: -2.026 local terms energy: -304.651848 where: bonds (distance) C4'-P energy: -60.804 bonds (distance) P-C4' energy: -58.662 flat angles C4'-P-C4' energy: -62.815 flat angles P-C4'-P energy: -44.263 tors. eta vs tors. theta energy: -78.108 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: 7, replica: 4 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -765.670511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.670511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.670511 (E_RNA) where: Base-Base interactions energy: -501.774 where: short stacking energy: -218.026 Base-Backbone interact. energy: -1.958 local terms energy: -261.939223 where: bonds (distance) C4'-P energy: -45.796 bonds (distance) P-C4' energy: -64.546 flat angles C4'-P-C4' energy: -54.847 flat angles P-C4'-P energy: -40.988 tors. eta vs tors. theta energy: -55.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -700.015427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.015427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.015427 (E_RNA) where: Base-Base interactions energy: -458.554 where: short stacking energy: -212.701 Base-Backbone interact. energy: -0.572 local terms energy: -240.889087 where: bonds (distance) C4'-P energy: -47.825 bonds (distance) P-C4' energy: -47.580 flat angles C4'-P-C4' energy: -55.880 flat angles P-C4'-P energy: -36.833 tors. eta vs tors. theta energy: -52.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -524.143303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.143303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.143303 (E_RNA) where: Base-Base interactions energy: -303.977 where: short stacking energy: -159.580 Base-Backbone interact. energy: -0.531 local terms energy: -219.635108 where: bonds (distance) C4'-P energy: -60.001 bonds (distance) P-C4' energy: -53.772 flat angles C4'-P-C4' energy: -51.260 flat angles P-C4'-P energy: -18.379 tors. eta vs tors. theta energy: -36.222 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: 10, replica: 6 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -437.829966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.829966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.829966 (E_RNA) where: Base-Base interactions energy: -235.055 where: short stacking energy: -127.690 Base-Backbone interact. energy: 0.227 local terms energy: -203.002328 where: bonds (distance) C4'-P energy: -54.210 bonds (distance) P-C4' energy: -60.731 flat angles C4'-P-C4' energy: -45.539 flat angles P-C4'-P energy: -28.165 tors. eta vs tors. theta energy: -14.357 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: 2 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -1168.553061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.553061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.553061 (E_RNA) where: Base-Base interactions energy: -795.966 where: short stacking energy: -345.939 Base-Backbone interact. energy: -1.921 local terms energy: -370.666579 where: bonds (distance) C4'-P energy: -65.288 bonds (distance) P-C4' energy: -69.167 flat angles C4'-P-C4' energy: -73.252 flat angles P-C4'-P energy: -57.887 tors. eta vs tors. theta energy: -105.072 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: 2, replica: 3 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -1086.457959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.457959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.457959 (E_RNA) where: Base-Base interactions energy: -759.326 where: short stacking energy: -313.898 Base-Backbone interact. energy: 0.569 local terms energy: -327.701344 where: bonds (distance) C4'-P energy: -65.881 bonds (distance) P-C4' energy: -56.355 flat angles C4'-P-C4' energy: -63.590 flat angles P-C4'-P energy: -51.388 tors. eta vs tors. theta energy: -90.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -1032.557926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.557926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.557926 (E_RNA) where: Base-Base interactions energy: -710.882 where: short stacking energy: -302.598 Base-Backbone interact. energy: -0.625 local terms energy: -321.051516 where: bonds (distance) C4'-P energy: -54.427 bonds (distance) P-C4' energy: -62.753 flat angles C4'-P-C4' energy: -69.029 flat angles P-C4'-P energy: -48.391 tors. eta vs tors. theta energy: -86.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -997.886116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.886116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.886116 (E_RNA) where: Base-Base interactions energy: -673.531 where: short stacking energy: -288.888 Base-Backbone interact. energy: -1.260 local terms energy: -323.095655 where: bonds (distance) C4'-P energy: -58.490 bonds (distance) P-C4' energy: -49.504 flat angles C4'-P-C4' energy: -71.804 flat angles P-C4'-P energy: -53.320 tors. eta vs tors. theta energy: -89.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -934.475651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.475651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.475651 (E_RNA) where: Base-Base interactions energy: -634.371 where: short stacking energy: -282.446 Base-Backbone interact. energy: -1.388 local terms energy: -298.716658 where: bonds (distance) C4'-P energy: -60.062 bonds (distance) P-C4' energy: -58.883 flat angles C4'-P-C4' energy: -64.414 flat angles P-C4'-P energy: -45.429 tors. eta vs tors. theta energy: -69.930 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: 8 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -836.196209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.196209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.196209 (E_RNA) where: Base-Base interactions energy: -557.414 where: short stacking energy: -252.080 Base-Backbone interact. energy: -0.834 local terms energy: -277.948016 where: bonds (distance) C4'-P energy: -57.165 bonds (distance) P-C4' energy: -53.079 flat angles C4'-P-C4' energy: -60.157 flat angles P-C4'-P energy: -38.917 tors. eta vs tors. theta energy: -68.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -775.110183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.110183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.110183 (E_RNA) where: Base-Base interactions energy: -506.276 where: short stacking energy: -233.505 Base-Backbone interact. energy: 0.055 local terms energy: -268.888832 where: bonds (distance) C4'-P energy: -63.114 bonds (distance) P-C4' energy: -52.428 flat angles C4'-P-C4' energy: -57.518 flat angles P-C4'-P energy: -40.449 tors. eta vs tors. theta energy: -55.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -711.906641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.906641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.906641 (E_RNA) where: Base-Base interactions energy: -480.232 where: short stacking energy: -213.056 Base-Backbone interact. energy: -0.978 local terms energy: -230.696291 where: bonds (distance) C4'-P energy: -54.871 bonds (distance) P-C4' energy: -48.847 flat angles C4'-P-C4' energy: -45.635 flat angles P-C4'-P energy: -26.154 tors. eta vs tors. theta energy: -55.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -565.120791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.120791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.120791 (E_RNA) where: Base-Base interactions energy: -334.676 where: short stacking energy: -157.196 Base-Backbone interact. energy: -0.879 local terms energy: -229.565903 where: bonds (distance) C4'-P energy: -53.845 bonds (distance) P-C4' energy: -48.011 flat angles C4'-P-C4' energy: -54.844 flat angles P-C4'-P energy: -44.390 tors. eta vs tors. theta energy: -28.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -428.808545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.808545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.808545 (E_RNA) where: Base-Base interactions energy: -219.484 where: short stacking energy: -111.401 Base-Backbone interact. energy: -0.510 local terms energy: -208.814716 where: bonds (distance) C4'-P energy: -57.139 bonds (distance) P-C4' energy: -52.260 flat angles C4'-P-C4' energy: -52.032 flat angles P-C4'-P energy: -33.649 tors. eta vs tors. theta energy: -13.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -1177.688957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.688957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.688957 (E_RNA) where: Base-Base interactions energy: -808.542 where: short stacking energy: -356.962 Base-Backbone interact. energy: 0.417 local terms energy: -369.563736 where: bonds (distance) C4'-P energy: -62.048 bonds (distance) P-C4' energy: -64.018 flat angles C4'-P-C4' energy: -76.332 flat angles P-C4'-P energy: -56.157 tors. eta vs tors. theta energy: -111.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -1088.725973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.725973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.725973 (E_RNA) where: Base-Base interactions energy: -731.545 where: short stacking energy: -315.033 Base-Backbone interact. energy: -1.119 local terms energy: -356.061620 where: bonds (distance) C4'-P energy: -64.274 bonds (distance) P-C4' energy: -71.612 flat angles C4'-P-C4' energy: -72.415 flat angles P-C4'-P energy: -53.527 tors. eta vs tors. theta energy: -94.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -1058.488306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.488306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.488306 (E_RNA) where: Base-Base interactions energy: -736.013 where: short stacking energy: -307.905 Base-Backbone interact. energy: 0.896 local terms energy: -323.371224 where: bonds (distance) C4'-P energy: -61.077 bonds (distance) P-C4' energy: -62.932 flat angles C4'-P-C4' energy: -72.247 flat angles P-C4'-P energy: -34.024 tors. eta vs tors. theta energy: -93.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -980.967893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.967893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.967893 (E_RNA) where: Base-Base interactions energy: -665.733 where: short stacking energy: -299.302 Base-Backbone interact. energy: -1.007 local terms energy: -314.228109 where: bonds (distance) C4'-P energy: -57.783 bonds (distance) P-C4' energy: -58.993 flat angles C4'-P-C4' energy: -69.413 flat angles P-C4'-P energy: -41.089 tors. eta vs tors. theta energy: -86.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -890.818785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.818785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.818785 (E_RNA) where: Base-Base interactions energy: -599.598 where: short stacking energy: -269.050 Base-Backbone interact. energy: -0.126 local terms energy: -291.094791 where: bonds (distance) C4'-P energy: -48.335 bonds (distance) P-C4' energy: -57.039 flat angles C4'-P-C4' energy: -57.111 flat angles P-C4'-P energy: -47.990 tors. eta vs tors. theta energy: -80.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -923.758082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.758082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.758082 (E_RNA) where: Base-Base interactions energy: -647.844 where: short stacking energy: -279.789 Base-Backbone interact. energy: -0.443 local terms energy: -275.471620 where: bonds (distance) C4'-P energy: -55.476 bonds (distance) P-C4' energy: -44.039 flat angles C4'-P-C4' energy: -61.376 flat angles P-C4'-P energy: -33.187 tors. eta vs tors. theta energy: -81.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -744.388480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.388480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.388480 (E_RNA) where: Base-Base interactions energy: -494.444 where: short stacking energy: -197.905 Base-Backbone interact. energy: -0.775 local terms energy: -249.168980 where: bonds (distance) C4'-P energy: -47.896 bonds (distance) P-C4' energy: -60.322 flat angles C4'-P-C4' energy: -62.073 flat angles P-C4'-P energy: -33.520 tors. eta vs tors. theta energy: -45.358 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: 9 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -743.955200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.955200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.955200 (E_RNA) where: Base-Base interactions energy: -493.507 where: short stacking energy: -228.649 Base-Backbone interact. energy: -3.680 local terms energy: -246.768499 where: bonds (distance) C4'-P energy: -42.782 bonds (distance) P-C4' energy: -54.024 flat angles C4'-P-C4' energy: -62.218 flat angles P-C4'-P energy: -37.343 tors. eta vs tors. theta energy: -50.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -584.483785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.483785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.483785 (E_RNA) where: Base-Base interactions energy: -380.554 where: short stacking energy: -160.829 Base-Backbone interact. energy: 1.400 local terms energy: -205.330156 where: bonds (distance) C4'-P energy: -53.383 bonds (distance) P-C4' energy: -35.452 flat angles C4'-P-C4' energy: -44.495 flat angles P-C4'-P energy: -37.803 tors. eta vs tors. theta energy: -34.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -470.362578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.362578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.362578 (E_RNA) where: Base-Base interactions energy: -273.680 where: short stacking energy: -126.177 Base-Backbone interact. energy: -0.389 local terms energy: -196.293835 where: bonds (distance) C4'-P energy: -60.070 bonds (distance) P-C4' energy: -55.079 flat angles C4'-P-C4' energy: -44.112 flat angles P-C4'-P energy: -23.655 tors. eta vs tors. theta energy: -13.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -1173.545380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.545380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.545380 (E_RNA) where: Base-Base interactions energy: -815.126 where: short stacking energy: -354.405 Base-Backbone interact. energy: 5.561 local terms energy: -363.980613 where: bonds (distance) C4'-P energy: -58.444 bonds (distance) P-C4' energy: -69.459 flat angles C4'-P-C4' energy: -74.732 flat angles P-C4'-P energy: -55.817 tors. eta vs tors. theta energy: -105.529 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: 1 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -1083.440294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.440294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.440294 (E_RNA) where: Base-Base interactions energy: -726.160 where: short stacking energy: -318.432 Base-Backbone interact. energy: -0.339 local terms energy: -356.941179 where: bonds (distance) C4'-P energy: -64.397 bonds (distance) P-C4' energy: -65.570 flat angles C4'-P-C4' energy: -75.988 flat angles P-C4'-P energy: -51.824 tors. eta vs tors. theta energy: -99.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -1036.224792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.224792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.224792 (E_RNA) where: Base-Base interactions energy: -725.375 where: short stacking energy: -290.994 Base-Backbone interact. energy: -0.481 local terms energy: -310.369421 where: bonds (distance) C4'-P energy: -50.124 bonds (distance) P-C4' energy: -58.075 flat angles C4'-P-C4' energy: -69.906 flat angles P-C4'-P energy: -39.036 tors. eta vs tors. theta energy: -93.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -1012.680459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.680459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.680459 (E_RNA) where: Base-Base interactions energy: -687.885 where: short stacking energy: -305.304 Base-Backbone interact. energy: 0.715 local terms energy: -325.510373 where: bonds (distance) C4'-P energy: -56.123 bonds (distance) P-C4' energy: -56.177 flat angles C4'-P-C4' energy: -74.509 flat angles P-C4'-P energy: -47.588 tors. eta vs tors. theta energy: -91.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -949.702760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.702760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.702760 (E_RNA) where: Base-Base interactions energy: -649.545 where: short stacking energy: -287.020 Base-Backbone interact. energy: 2.600 local terms energy: -302.757784 where: bonds (distance) C4'-P energy: -57.242 bonds (distance) P-C4' energy: -51.089 flat angles C4'-P-C4' energy: -70.135 flat angles P-C4'-P energy: -30.527 tors. eta vs tors. theta energy: -93.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -850.553591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.553591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.553591 (E_RNA) where: Base-Base interactions energy: -562.153 where: short stacking energy: -239.368 Base-Backbone interact. energy: -1.917 local terms energy: -286.483380 where: bonds (distance) C4'-P energy: -49.179 bonds (distance) P-C4' energy: -65.322 flat angles C4'-P-C4' energy: -63.050 flat angles P-C4'-P energy: -41.234 tors. eta vs tors. theta energy: -67.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -666.482277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.482277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.482277 (E_RNA) where: Base-Base interactions energy: -405.121 where: short stacking energy: -182.739 Base-Backbone interact. energy: -0.375 local terms energy: -260.986316 where: bonds (distance) C4'-P energy: -54.330 bonds (distance) P-C4' energy: -59.291 flat angles C4'-P-C4' energy: -63.716 flat angles P-C4'-P energy: -42.616 tors. eta vs tors. theta energy: -41.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -661.400472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.400472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.400472 (E_RNA) where: Base-Base interactions energy: -447.639 where: short stacking energy: -194.514 Base-Backbone interact. energy: 0.386 local terms energy: -214.148100 where: bonds (distance) C4'-P energy: -46.230 bonds (distance) P-C4' energy: -48.929 flat angles C4'-P-C4' energy: -59.008 flat angles P-C4'-P energy: -23.091 tors. eta vs tors. theta energy: -36.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -634.763561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.763561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.763561 (E_RNA) where: Base-Base interactions energy: -395.678 where: short stacking energy: -182.876 Base-Backbone interact. energy: -1.179 local terms energy: -237.906109 where: bonds (distance) C4'-P energy: -50.304 bonds (distance) P-C4' energy: -53.247 flat angles C4'-P-C4' energy: -61.862 flat angles P-C4'-P energy: -35.041 tors. eta vs tors. theta energy: -37.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -443.177248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.177248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.177248 (E_RNA) where: Base-Base interactions energy: -250.821 where: short stacking energy: -115.856 Base-Backbone interact. energy: -2.204 local terms energy: -190.152009 where: bonds (distance) C4'-P energy: -62.218 bonds (distance) P-C4' energy: -48.930 flat angles C4'-P-C4' energy: -46.944 flat angles P-C4'-P energy: -16.508 tors. eta vs tors. theta energy: -15.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -1180.814456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.814456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.814456 (E_RNA) where: Base-Base interactions energy: -811.798 where: short stacking energy: -349.374 Base-Backbone interact. energy: -1.107 local terms energy: -367.909458 where: bonds (distance) C4'-P energy: -53.910 bonds (distance) P-C4' energy: -67.244 flat angles C4'-P-C4' energy: -74.423 flat angles P-C4'-P energy: -58.272 tors. eta vs tors. theta energy: -114.061 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: 3 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -1097.841875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.841875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.841875 (E_RNA) where: Base-Base interactions energy: -758.203 where: short stacking energy: -314.369 Base-Backbone interact. energy: -0.857 local terms energy: -338.782065 where: bonds (distance) C4'-P energy: -63.007 bonds (distance) P-C4' energy: -61.183 flat angles C4'-P-C4' energy: -79.628 flat angles P-C4'-P energy: -40.013 tors. eta vs tors. theta energy: -94.952 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: 1 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -1043.194943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.194943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.194943 (E_RNA) where: Base-Base interactions energy: -707.057 where: short stacking energy: -316.147 Base-Backbone interact. energy: -1.883 local terms energy: -334.255097 where: bonds (distance) C4'-P energy: -56.146 bonds (distance) P-C4' energy: -61.316 flat angles C4'-P-C4' energy: -70.188 flat angles P-C4'-P energy: -51.378 tors. eta vs tors. theta energy: -95.227 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: 5 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -1029.685198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.685198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.685198 (E_RNA) where: Base-Base interactions energy: -710.316 where: short stacking energy: -311.845 Base-Backbone interact. energy: -1.812 local terms energy: -317.557898 where: bonds (distance) C4'-P energy: -57.266 bonds (distance) P-C4' energy: -65.258 flat angles C4'-P-C4' energy: -69.086 flat angles P-C4'-P energy: -44.762 tors. eta vs tors. theta energy: -81.186 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: 8 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -973.120225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.120225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.120225 (E_RNA) where: Base-Base interactions energy: -668.131 where: short stacking energy: -289.334 Base-Backbone interact. energy: -1.374 local terms energy: -303.615080 where: bonds (distance) C4'-P energy: -54.690 bonds (distance) P-C4' energy: -56.748 flat angles C4'-P-C4' energy: -73.474 flat angles P-C4'-P energy: -43.605 tors. eta vs tors. theta energy: -75.098 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: 281 Temperature: 1.150000 Total energy: -848.655099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.655099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.655099 (E_RNA) where: Base-Base interactions energy: -557.424 where: short stacking energy: -255.021 Base-Backbone interact. energy: 0.054 local terms energy: -291.285010 where: bonds (distance) C4'-P energy: -57.092 bonds (distance) P-C4' energy: -61.738 flat angles C4'-P-C4' energy: -59.374 flat angles P-C4'-P energy: -50.406 tors. eta vs tors. theta energy: -62.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -627.549616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.549616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.549616 (E_RNA) where: Base-Base interactions energy: -387.862 where: short stacking energy: -181.856 Base-Backbone interact. energy: -0.975 local terms energy: -238.712640 where: bonds (distance) C4'-P energy: -53.891 bonds (distance) P-C4' energy: -62.175 flat angles C4'-P-C4' energy: -49.800 flat angles P-C4'-P energy: -28.557 tors. eta vs tors. theta energy: -44.289 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: 4 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -725.075324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.075324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.075324 (E_RNA) where: Base-Base interactions energy: -470.636 where: short stacking energy: -207.559 Base-Backbone interact. energy: 1.093 local terms energy: -255.532632 where: bonds (distance) C4'-P energy: -54.371 bonds (distance) P-C4' energy: -55.833 flat angles C4'-P-C4' energy: -41.944 flat angles P-C4'-P energy: -48.907 tors. eta vs tors. theta energy: -54.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -512.889656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.889656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.889656 (E_RNA) where: Base-Base interactions energy: -295.324 where: short stacking energy: -156.518 Base-Backbone interact. energy: 5.212 local terms energy: -222.777312 where: bonds (distance) C4'-P energy: -51.301 bonds (distance) P-C4' energy: -59.363 flat angles C4'-P-C4' energy: -53.044 flat angles P-C4'-P energy: -30.948 tors. eta vs tors. theta energy: -28.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -399.003299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.003299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.003299 (E_RNA) where: Base-Base interactions energy: -196.374 where: short stacking energy: -113.018 Base-Backbone interact. energy: -2.070 local terms energy: -200.558777 where: bonds (distance) C4'-P energy: -48.532 bonds (distance) P-C4' energy: -57.688 flat angles C4'-P-C4' energy: -56.614 flat angles P-C4'-P energy: -39.642 tors. eta vs tors. theta energy: 1.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -1186.695389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.695389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.695389 (E_RNA) where: Base-Base interactions energy: -822.968 where: short stacking energy: -362.580 Base-Backbone interact. energy: -0.958 local terms energy: -362.768851 where: bonds (distance) C4'-P energy: -63.384 bonds (distance) P-C4' energy: -63.764 flat angles C4'-P-C4' energy: -73.197 flat angles P-C4'-P energy: -52.427 tors. eta vs tors. theta energy: -109.996 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: 3 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -1113.076260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.076260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.076260 (E_RNA) where: Base-Base interactions energy: -772.925 where: short stacking energy: -325.839 Base-Backbone interact. energy: -1.718 local terms energy: -338.433775 where: bonds (distance) C4'-P energy: -63.044 bonds (distance) P-C4' energy: -62.149 flat angles C4'-P-C4' energy: -68.369 flat angles P-C4'-P energy: -46.707 tors. eta vs tors. theta energy: -98.165 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: 5 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -1042.432566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.432566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.432566 (E_RNA) where: Base-Base interactions energy: -707.962 where: short stacking energy: -314.058 Base-Backbone interact. energy: -0.756 local terms energy: -333.714453 where: bonds (distance) C4'-P energy: -62.195 bonds (distance) P-C4' energy: -62.594 flat angles C4'-P-C4' energy: -67.873 flat angles P-C4'-P energy: -51.836 tors. eta vs tors. theta energy: -89.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -1013.363998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.363998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.363998 (E_RNA) where: Base-Base interactions energy: -697.479 where: short stacking energy: -309.931 Base-Backbone interact. energy: -0.250 local terms energy: -315.635231 where: bonds (distance) C4'-P energy: -52.218 bonds (distance) P-C4' energy: -51.559 flat angles C4'-P-C4' energy: -69.194 flat angles P-C4'-P energy: -47.502 tors. eta vs tors. theta energy: -95.161 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: 5, replica: 8 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -932.958577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.958577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.958577 (E_RNA) where: Base-Base interactions energy: -629.248 where: short stacking energy: -274.708 Base-Backbone interact. energy: -1.157 local terms energy: -302.554329 where: bonds (distance) C4'-P energy: -51.534 bonds (distance) P-C4' energy: -69.473 flat angles C4'-P-C4' energy: -64.359 flat angles P-C4'-P energy: -31.430 tors. eta vs tors. theta energy: -85.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -785.678047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.678047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.678047 (E_RNA) where: Base-Base interactions energy: -522.591 where: short stacking energy: -239.388 Base-Backbone interact. energy: 1.898 local terms energy: -264.985584 where: bonds (distance) C4'-P energy: -42.684 bonds (distance) P-C4' energy: -60.131 flat angles C4'-P-C4' energy: -56.961 flat angles P-C4'-P energy: -39.311 tors. eta vs tors. theta energy: -65.899 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: 7, replica: 4 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -808.472087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.472087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.472087 (E_RNA) where: Base-Base interactions energy: -526.795 where: short stacking energy: -237.032 Base-Backbone interact. energy: -2.874 local terms energy: -278.803006 where: bonds (distance) C4'-P energy: -56.160 bonds (distance) P-C4' energy: -65.574 flat angles C4'-P-C4' energy: -58.615 flat angles P-C4'-P energy: -30.792 tors. eta vs tors. theta energy: -67.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -599.353225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.353225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.353225 (E_RNA) where: Base-Base interactions energy: -357.404 where: short stacking energy: -173.341 Base-Backbone interact. energy: -1.749 local terms energy: -240.199803 where: bonds (distance) C4'-P energy: -52.784 bonds (distance) P-C4' energy: -49.864 flat angles C4'-P-C4' energy: -57.390 flat angles P-C4'-P energy: -35.769 tors. eta vs tors. theta energy: -44.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -515.864929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.864929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.864929 (E_RNA) where: Base-Base interactions energy: -311.737 where: short stacking energy: -135.531 Base-Backbone interact. energy: 0.068 local terms energy: -204.195757 where: bonds (distance) C4'-P energy: -55.419 bonds (distance) P-C4' energy: -46.872 flat angles C4'-P-C4' energy: -57.692 flat angles P-C4'-P energy: -25.260 tors. eta vs tors. theta energy: -18.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -436.247447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.247447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.247447 (E_RNA) where: Base-Base interactions energy: -244.501 where: short stacking energy: -121.847 Base-Backbone interact. energy: 0.446 local terms energy: -192.192839 where: bonds (distance) C4'-P energy: -46.658 bonds (distance) P-C4' energy: -49.055 flat angles C4'-P-C4' energy: -55.723 flat angles P-C4'-P energy: -31.325 tors. eta vs tors. theta energy: -9.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -1179.213257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.213257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.213257 (E_RNA) where: Base-Base interactions energy: -807.557 where: short stacking energy: -364.700 Base-Backbone interact. energy: -0.149 local terms energy: -371.507185 where: bonds (distance) C4'-P energy: -71.034 bonds (distance) P-C4' energy: -62.505 flat angles C4'-P-C4' energy: -76.210 flat angles P-C4'-P energy: -51.035 tors. eta vs tors. theta energy: -110.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -1066.681417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.681417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.681417 (E_RNA) where: Base-Base interactions energy: -729.150 where: short stacking energy: -326.249 Base-Backbone interact. energy: -0.817 local terms energy: -336.715085 where: bonds (distance) C4'-P energy: -58.254 bonds (distance) P-C4' energy: -58.444 flat angles C4'-P-C4' energy: -74.098 flat angles P-C4'-P energy: -45.825 tors. eta vs tors. theta energy: -100.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -1078.259129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.259129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.259129 (E_RNA) where: Base-Base interactions energy: -752.827 where: short stacking energy: -329.944 Base-Backbone interact. energy: -2.067 local terms energy: -323.364863 where: bonds (distance) C4'-P energy: -58.583 bonds (distance) P-C4' energy: -56.910 flat angles C4'-P-C4' energy: -61.454 flat angles P-C4'-P energy: -50.604 tors. eta vs tors. theta energy: -95.813 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: 1 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -991.616449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.616449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.616449 (E_RNA) where: Base-Base interactions energy: -675.717 where: short stacking energy: -291.815 Base-Backbone interact. energy: 0.446 local terms energy: -316.345430 where: bonds (distance) C4'-P energy: -53.064 bonds (distance) P-C4' energy: -63.428 flat angles C4'-P-C4' energy: -68.752 flat angles P-C4'-P energy: -46.152 tors. eta vs tors. theta energy: -84.950 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: 8 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -930.946255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.946255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.946255 (E_RNA) where: Base-Base interactions energy: -658.099 where: short stacking energy: -279.776 Base-Backbone interact. energy: -0.513 local terms energy: -272.333971 where: bonds (distance) C4'-P energy: -47.032 bonds (distance) P-C4' energy: -52.549 flat angles C4'-P-C4' energy: -66.311 flat angles P-C4'-P energy: -29.009 tors. eta vs tors. theta energy: -77.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -835.079150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.079150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.079150 (E_RNA) where: Base-Base interactions energy: -552.660 where: short stacking energy: -244.814 Base-Backbone interact. energy: -0.002 local terms energy: -282.417415 where: bonds (distance) C4'-P energy: -53.216 bonds (distance) P-C4' energy: -61.632 flat angles C4'-P-C4' energy: -71.542 flat angles P-C4'-P energy: -35.532 tors. eta vs tors. theta energy: -60.494 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: 7 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -803.866103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.866103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.866103 (E_RNA) where: Base-Base interactions energy: -539.043 where: short stacking energy: -228.859 Base-Backbone interact. energy: -2.889 local terms energy: -261.934688 where: bonds (distance) C4'-P energy: -59.130 bonds (distance) P-C4' energy: -59.934 flat angles C4'-P-C4' energy: -59.609 flat angles P-C4'-P energy: -30.134 tors. eta vs tors. theta energy: -53.128 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: 9 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -596.254912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.254912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.254912 (E_RNA) where: Base-Base interactions energy: -342.880 where: short stacking energy: -163.717 Base-Backbone interact. energy: -0.676 local terms energy: -252.698732 where: bonds (distance) C4'-P energy: -58.128 bonds (distance) P-C4' energy: -62.328 flat angles C4'-P-C4' energy: -60.956 flat angles P-C4'-P energy: -29.714 tors. eta vs tors. theta energy: -41.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -524.124171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.124171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.124171 (E_RNA) where: Base-Base interactions energy: -307.971 where: short stacking energy: -128.892 Base-Backbone interact. energy: 2.495 local terms energy: -218.647962 where: bonds (distance) C4'-P energy: -50.969 bonds (distance) P-C4' energy: -56.252 flat angles C4'-P-C4' energy: -46.552 flat angles P-C4'-P energy: -39.037 tors. eta vs tors. theta energy: -25.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -441.523511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.523511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.523511 (E_RNA) where: Base-Base interactions energy: -258.615 where: short stacking energy: -137.450 Base-Backbone interact. energy: -0.799 local terms energy: -182.109956 where: bonds (distance) C4'-P energy: -38.089 bonds (distance) P-C4' energy: -59.122 flat angles C4'-P-C4' energy: -37.457 flat angles P-C4'-P energy: -28.888 tors. eta vs tors. theta energy: -18.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -1194.758654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.758654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.758654 (E_RNA) where: Base-Base interactions energy: -832.111 where: short stacking energy: -373.977 Base-Backbone interact. energy: -0.014 local terms energy: -362.632700 where: bonds (distance) C4'-P energy: -70.328 bonds (distance) P-C4' energy: -59.785 flat angles C4'-P-C4' energy: -76.018 flat angles P-C4'-P energy: -47.913 tors. eta vs tors. theta energy: -108.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -1082.748148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.748148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.748148 (E_RNA) where: Base-Base interactions energy: -735.945 where: short stacking energy: -316.396 Base-Backbone interact. energy: -1.532 local terms energy: -345.271399 where: bonds (distance) C4'-P energy: -55.719 bonds (distance) P-C4' energy: -69.189 flat angles C4'-P-C4' energy: -70.726 flat angles P-C4'-P energy: -51.965 tors. eta vs tors. theta energy: -97.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -1100.792933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.792933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.792933 (E_RNA) where: Base-Base interactions energy: -774.171 where: short stacking energy: -332.145 Base-Backbone interact. energy: -2.107 local terms energy: -324.514932 where: bonds (distance) C4'-P energy: -62.928 bonds (distance) P-C4' energy: -53.282 flat angles C4'-P-C4' energy: -63.651 flat angles P-C4'-P energy: -47.868 tors. eta vs tors. theta energy: -96.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -1016.863002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.863002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.863002 (E_RNA) where: Base-Base interactions energy: -701.994 where: short stacking energy: -309.663 Base-Backbone interact. energy: -0.800 local terms energy: -314.069852 where: bonds (distance) C4'-P energy: -61.291 bonds (distance) P-C4' energy: -49.454 flat angles C4'-P-C4' energy: -69.333 flat angles P-C4'-P energy: -47.122 tors. eta vs tors. theta energy: -86.869 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: 8 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -923.323525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.323525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.323525 (E_RNA) where: Base-Base interactions energy: -629.355 where: short stacking energy: -283.108 Base-Backbone interact. energy: -0.429 local terms energy: -293.539684 where: bonds (distance) C4'-P energy: -46.700 bonds (distance) P-C4' energy: -62.939 flat angles C4'-P-C4' energy: -70.456 flat angles P-C4'-P energy: -33.814 tors. eta vs tors. theta energy: -79.630 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: 284 Temperature: 1.150000 Total energy: -881.820428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.820428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.820428 (E_RNA) where: Base-Base interactions energy: -592.519 where: short stacking energy: -255.653 Base-Backbone interact. energy: -0.723 local terms energy: -288.578294 where: bonds (distance) C4'-P energy: -57.629 bonds (distance) P-C4' energy: -59.167 flat angles C4'-P-C4' energy: -65.505 flat angles P-C4'-P energy: -36.968 tors. eta vs tors. theta energy: -69.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -776.237470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.237470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.237470 (E_RNA) where: Base-Base interactions energy: -527.253 where: short stacking energy: -232.877 Base-Backbone interact. energy: -0.247 local terms energy: -248.737647 where: bonds (distance) C4'-P energy: -42.038 bonds (distance) P-C4' energy: -53.482 flat angles C4'-P-C4' energy: -61.276 flat angles P-C4'-P energy: -28.550 tors. eta vs tors. theta energy: -63.391 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: 9 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -615.961215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.961215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.961215 (E_RNA) where: Base-Base interactions energy: -368.711 where: short stacking energy: -180.012 Base-Backbone interact. energy: 2.288 local terms energy: -249.537893 where: bonds (distance) C4'-P energy: -49.498 bonds (distance) P-C4' energy: -62.782 flat angles C4'-P-C4' energy: -67.778 flat angles P-C4'-P energy: -35.494 tors. eta vs tors. theta energy: -33.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -529.090427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.090427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.090427 (E_RNA) where: Base-Base interactions energy: -306.993 where: short stacking energy: -148.621 Base-Backbone interact. energy: -1.456 local terms energy: -220.641163 where: bonds (distance) C4'-P energy: -48.735 bonds (distance) P-C4' energy: -64.205 flat angles C4'-P-C4' energy: -56.792 flat angles P-C4'-P energy: -28.413 tors. eta vs tors. theta energy: -22.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -488.833133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.833133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.833133 (E_RNA) where: Base-Base interactions energy: -303.646 where: short stacking energy: -156.941 Base-Backbone interact. energy: -0.245 local terms energy: -184.942446 where: bonds (distance) C4'-P energy: -33.433 bonds (distance) P-C4' energy: -40.901 flat angles C4'-P-C4' energy: -47.497 flat angles P-C4'-P energy: -30.503 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: 2 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -1182.559922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.559922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.559922 (E_RNA) where: Base-Base interactions energy: -817.211 where: short stacking energy: -361.481 Base-Backbone interact. energy: -1.253 local terms energy: -364.096611 where: bonds (distance) C4'-P energy: -63.330 bonds (distance) P-C4' energy: -59.239 flat angles C4'-P-C4' energy: -72.451 flat angles P-C4'-P energy: -58.355 tors. eta vs tors. theta energy: -110.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -1092.294500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.294500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.294500 (E_RNA) where: Base-Base interactions energy: -748.445 where: short stacking energy: -314.730 Base-Backbone interact. energy: -1.789 local terms energy: -342.060343 where: bonds (distance) C4'-P energy: -62.247 bonds (distance) P-C4' energy: -59.530 flat angles C4'-P-C4' energy: -67.956 flat angles P-C4'-P energy: -48.784 tors. eta vs tors. theta energy: -103.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -1026.973294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.973294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.973294 (E_RNA) where: Base-Base interactions energy: -705.951 where: short stacking energy: -326.008 Base-Backbone interact. energy: -0.207 local terms energy: -320.815481 where: bonds (distance) C4'-P energy: -58.034 bonds (distance) P-C4' energy: -59.930 flat angles C4'-P-C4' energy: -62.789 flat angles P-C4'-P energy: -44.221 tors. eta vs tors. theta energy: -95.843 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: 4, replica: 1 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -1020.739206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.739206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.739206 (E_RNA) where: Base-Base interactions energy: -694.519 where: short stacking energy: -303.993 Base-Backbone interact. energy: -1.744 local terms energy: -324.475869 where: bonds (distance) C4'-P energy: -59.351 bonds (distance) P-C4' energy: -61.073 flat angles C4'-P-C4' energy: -65.060 flat angles P-C4'-P energy: -55.803 tors. eta vs tors. theta energy: -83.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -933.691626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.691626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.691626 (E_RNA) where: Base-Base interactions energy: -630.259 where: short stacking energy: -266.147 Base-Backbone interact. energy: -1.543 local terms energy: -301.889314 where: bonds (distance) C4'-P energy: -61.741 bonds (distance) P-C4' energy: -54.721 flat angles C4'-P-C4' energy: -72.039 flat angles P-C4'-P energy: -37.716 tors. eta vs tors. theta energy: -75.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -909.887064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.887064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.887064 (E_RNA) where: Base-Base interactions energy: -615.009 where: short stacking energy: -266.390 Base-Backbone interact. energy: -0.219 local terms energy: -294.659289 where: bonds (distance) C4'-P energy: -54.129 bonds (distance) P-C4' energy: -60.940 flat angles C4'-P-C4' energy: -66.082 flat angles P-C4'-P energy: -41.902 tors. eta vs tors. theta energy: -71.606 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: 7 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -796.827446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.827446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.827446 (E_RNA) where: Base-Base interactions energy: -536.425 where: short stacking energy: -238.811 Base-Backbone interact. energy: 0.588 local terms energy: -260.989889 where: bonds (distance) C4'-P energy: -56.251 bonds (distance) P-C4' energy: -43.829 flat angles C4'-P-C4' energy: -67.512 flat angles P-C4'-P energy: -28.706 tors. eta vs tors. theta energy: -64.693 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: 9 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -594.580203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.580203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.580203 (E_RNA) where: Base-Base interactions energy: -346.488 where: short stacking energy: -191.465 Base-Backbone interact. energy: -0.618 local terms energy: -247.473736 where: bonds (distance) C4'-P energy: -58.536 bonds (distance) P-C4' energy: -54.425 flat angles C4'-P-C4' energy: -54.094 flat angles P-C4'-P energy: -33.869 tors. eta vs tors. theta energy: -46.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -506.328335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.328335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.328335 (E_RNA) where: Base-Base interactions energy: -274.977 where: short stacking energy: -130.902 Base-Backbone interact. energy: 0.363 local terms energy: -231.714730 where: bonds (distance) C4'-P energy: -53.970 bonds (distance) P-C4' energy: -60.304 flat angles C4'-P-C4' energy: -60.972 flat angles P-C4'-P energy: -40.768 tors. eta vs tors. theta energy: -15.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -491.832509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.832509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.832509 (E_RNA) where: Base-Base interactions energy: -285.069 where: short stacking energy: -141.969 Base-Backbone interact. energy: 0.905 local terms energy: -207.668957 where: bonds (distance) C4'-P energy: -43.432 bonds (distance) P-C4' energy: -70.943 flat angles C4'-P-C4' energy: -48.271 flat angles P-C4'-P energy: -27.441 tors. eta vs tors. theta energy: -17.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -1186.605161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.605161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.605161 (E_RNA) where: Base-Base interactions energy: -830.871 where: short stacking energy: -364.690 Base-Backbone interact. energy: -0.264 local terms energy: -355.470467 where: bonds (distance) C4'-P energy: -61.260 bonds (distance) P-C4' energy: -66.579 flat angles C4'-P-C4' energy: -69.875 flat angles P-C4'-P energy: -46.423 tors. eta vs tors. theta energy: -111.333 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: 286 Temperature: 0.950000 Total energy: -1119.242483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.242483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.242483 (E_RNA) where: Base-Base interactions energy: -775.903 where: short stacking energy: -332.464 Base-Backbone interact. energy: -1.019 local terms energy: -342.319936 where: bonds (distance) C4'-P energy: -59.531 bonds (distance) P-C4' energy: -56.750 flat angles C4'-P-C4' energy: -74.616 flat angles P-C4'-P energy: -50.445 tors. eta vs tors. theta energy: -100.979 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: 1 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -1029.467846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.467846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.467846 (E_RNA) where: Base-Base interactions energy: -702.749 where: short stacking energy: -305.448 Base-Backbone interact. energy: -0.606 local terms energy: -326.112631 where: bonds (distance) C4'-P energy: -55.397 bonds (distance) P-C4' energy: -61.711 flat angles C4'-P-C4' energy: -68.760 flat angles P-C4'-P energy: -47.373 tors. eta vs tors. theta energy: -92.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -1023.776251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.776251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.776251 (E_RNA) where: Base-Base interactions energy: -706.480 where: short stacking energy: -306.104 Base-Backbone interact. energy: -1.338 local terms energy: -315.958573 where: bonds (distance) C4'-P energy: -60.866 bonds (distance) P-C4' energy: -54.943 flat angles C4'-P-C4' energy: -68.282 flat angles P-C4'-P energy: -43.285 tors. eta vs tors. theta energy: -88.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -932.569018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.569018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.569018 (E_RNA) where: Base-Base interactions energy: -636.351 where: short stacking energy: -285.989 Base-Backbone interact. energy: 4.429 local terms energy: -300.646962 where: bonds (distance) C4'-P energy: -49.230 bonds (distance) P-C4' energy: -68.108 flat angles C4'-P-C4' energy: -65.991 flat angles P-C4'-P energy: -39.642 tors. eta vs tors. theta energy: -77.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -886.808100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.808100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.808100 (E_RNA) where: Base-Base interactions energy: -583.634 where: short stacking energy: -255.837 Base-Backbone interact. energy: 4.131 local terms energy: -307.304648 where: bonds (distance) C4'-P energy: -50.062 bonds (distance) P-C4' energy: -58.755 flat angles C4'-P-C4' energy: -70.025 flat angles P-C4'-P energy: -47.066 tors. eta vs tors. theta energy: -81.396 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: 7 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -782.224300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.224300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.224300 (E_RNA) where: Base-Base interactions energy: -528.999 where: short stacking energy: -222.043 Base-Backbone interact. energy: 0.850 local terms energy: -254.075163 where: bonds (distance) C4'-P energy: -52.488 bonds (distance) P-C4' energy: -52.045 flat angles C4'-P-C4' energy: -61.131 flat angles P-C4'-P energy: -43.108 tors. eta vs tors. theta energy: -45.303 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: 8, replica: 9 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -589.551905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.551905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.551905 (E_RNA) where: Base-Base interactions energy: -366.338 where: short stacking energy: -185.575 Base-Backbone interact. energy: -1.152 local terms energy: -222.062859 where: bonds (distance) C4'-P energy: -58.509 bonds (distance) P-C4' energy: -49.741 flat angles C4'-P-C4' energy: -53.784 flat angles P-C4'-P energy: -27.271 tors. eta vs tors. theta energy: -32.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -506.992272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.992272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.992272 (E_RNA) where: Base-Base interactions energy: -281.750 where: short stacking energy: -133.217 Base-Backbone interact. energy: -2.166 local terms energy: -223.076341 where: bonds (distance) C4'-P energy: -45.029 bonds (distance) P-C4' energy: -61.302 flat angles C4'-P-C4' energy: -56.441 flat angles P-C4'-P energy: -35.611 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: 10, replica: 10 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -462.345375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.345375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.345375 (E_RNA) where: Base-Base interactions energy: -257.236 where: short stacking energy: -121.644 Base-Backbone interact. energy: -1.627 local terms energy: -203.483017 where: bonds (distance) C4'-P energy: -47.646 bonds (distance) P-C4' energy: -58.820 flat angles C4'-P-C4' energy: -55.537 flat angles P-C4'-P energy: -32.742 tors. eta vs tors. theta energy: -8.738 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: 2 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -1181.768120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.768120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.768120 (E_RNA) where: Base-Base interactions energy: -815.251 where: short stacking energy: -362.749 Base-Backbone interact. energy: -1.262 local terms energy: -365.254732 where: bonds (distance) C4'-P energy: -62.769 bonds (distance) P-C4' energy: -57.716 flat angles C4'-P-C4' energy: -75.070 flat angles P-C4'-P energy: -57.678 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: 2, replica: 3 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -1096.915325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.915325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.915325 (E_RNA) where: Base-Base interactions energy: -750.731 where: short stacking energy: -305.607 Base-Backbone interact. energy: -0.529 local terms energy: -345.655274 where: bonds (distance) C4'-P energy: -64.611 bonds (distance) P-C4' energy: -56.269 flat angles C4'-P-C4' energy: -74.643 flat angles P-C4'-P energy: -53.566 tors. eta vs tors. theta energy: -96.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -1029.362631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.362631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.362631 (E_RNA) where: Base-Base interactions energy: -695.954 where: short stacking energy: -304.089 Base-Backbone interact. energy: -0.680 local terms energy: -332.728072 where: bonds (distance) C4'-P energy: -64.564 bonds (distance) P-C4' energy: -62.762 flat angles C4'-P-C4' energy: -69.307 flat angles P-C4'-P energy: -48.424 tors. eta vs tors. theta energy: -87.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -972.738695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.738695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.738695 (E_RNA) where: Base-Base interactions energy: -668.415 where: short stacking energy: -283.396 Base-Backbone interact. energy: -2.227 local terms energy: -302.096953 where: bonds (distance) C4'-P energy: -59.133 bonds (distance) P-C4' energy: -62.477 flat angles C4'-P-C4' energy: -57.786 flat angles P-C4'-P energy: -40.831 tors. eta vs tors. theta energy: -81.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -994.486295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.486295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.486295 (E_RNA) where: Base-Base interactions energy: -673.956 where: short stacking energy: -289.556 Base-Backbone interact. energy: -1.745 local terms energy: -318.785685 where: bonds (distance) C4'-P energy: -57.055 bonds (distance) P-C4' energy: -60.756 flat angles C4'-P-C4' energy: -66.589 flat angles P-C4'-P energy: -50.247 tors. eta vs tors. theta energy: -84.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -909.081997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.081997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.081997 (E_RNA) where: Base-Base interactions energy: -600.647 where: short stacking energy: -271.081 Base-Backbone interact. energy: 2.555 local terms energy: -310.989848 where: bonds (distance) C4'-P energy: -61.346 bonds (distance) P-C4' energy: -48.446 flat angles C4'-P-C4' energy: -69.189 flat angles P-C4'-P energy: -52.059 tors. eta vs tors. theta energy: -79.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -775.056246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.056246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.056246 (E_RNA) where: Base-Base interactions energy: -529.693 where: short stacking energy: -212.054 Base-Backbone interact. energy: 6.430 local terms energy: -251.793134 where: bonds (distance) C4'-P energy: -63.611 bonds (distance) P-C4' energy: -52.439 flat angles C4'-P-C4' energy: -56.710 flat angles P-C4'-P energy: -32.029 tors. eta vs tors. theta energy: -47.004 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: 9 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -601.431361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.431361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.431361 (E_RNA) where: Base-Base interactions energy: -376.074 where: short stacking energy: -201.126 Base-Backbone interact. energy: -1.265 local terms energy: -224.091462 where: bonds (distance) C4'-P energy: -50.011 bonds (distance) P-C4' energy: -45.574 flat angles C4'-P-C4' energy: -55.175 flat angles P-C4'-P energy: -25.262 tors. eta vs tors. theta energy: -48.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -504.175979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.175979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.175979 (E_RNA) where: Base-Base interactions energy: -264.605 where: short stacking energy: -135.154 Base-Backbone interact. energy: 0.531 local terms energy: -240.102143 where: bonds (distance) C4'-P energy: -58.223 bonds (distance) P-C4' energy: -62.352 flat angles C4'-P-C4' energy: -60.657 flat angles P-C4'-P energy: -27.672 tors. eta vs tors. theta energy: -31.198 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: 10 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -495.403049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.403049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.403049 (E_RNA) where: Base-Base interactions energy: -296.649 where: short stacking energy: -142.479 Base-Backbone interact. energy: -0.243 local terms energy: -198.511196 where: bonds (distance) C4'-P energy: -45.769 bonds (distance) P-C4' energy: -49.823 flat angles C4'-P-C4' energy: -45.405 flat angles P-C4'-P energy: -35.224 tors. eta vs tors. theta energy: -22.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -1185.998611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.998611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.998611 (E_RNA) where: Base-Base interactions energy: -825.299 where: short stacking energy: -360.756 Base-Backbone interact. energy: -1.215 local terms energy: -359.485164 where: bonds (distance) C4'-P energy: -59.042 bonds (distance) P-C4' energy: -61.911 flat angles C4'-P-C4' energy: -78.087 flat angles P-C4'-P energy: -50.175 tors. eta vs tors. theta energy: -110.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -1070.819129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.819129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.819129 (E_RNA) where: Base-Base interactions energy: -758.572 where: short stacking energy: -306.210 Base-Backbone interact. energy: -0.430 local terms energy: -311.816938 where: bonds (distance) C4'-P energy: -57.433 bonds (distance) P-C4' energy: -62.325 flat angles C4'-P-C4' energy: -59.493 flat angles P-C4'-P energy: -34.817 tors. eta vs tors. theta energy: -97.750 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: 1 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -1011.735491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.735491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.735491 (E_RNA) where: Base-Base interactions energy: -683.884 where: short stacking energy: -299.628 Base-Backbone interact. energy: -2.597 local terms energy: -325.254539 where: bonds (distance) C4'-P energy: -60.161 bonds (distance) P-C4' energy: -68.482 flat angles C4'-P-C4' energy: -73.681 flat angles P-C4'-P energy: -44.300 tors. eta vs tors. theta energy: -78.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -980.482089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.482089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.482089 (E_RNA) where: Base-Base interactions energy: -682.221 where: short stacking energy: -300.222 Base-Backbone interact. energy: -1.125 local terms energy: -297.136040 where: bonds (distance) C4'-P energy: -49.963 bonds (distance) P-C4' energy: -62.011 flat angles C4'-P-C4' energy: -68.222 flat angles P-C4'-P energy: -40.100 tors. eta vs tors. theta energy: -76.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -965.001538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.001538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.001538 (E_RNA) where: Base-Base interactions energy: -660.394 where: short stacking energy: -273.313 Base-Backbone interact. energy: -1.568 local terms energy: -303.039908 where: bonds (distance) C4'-P energy: -52.730 bonds (distance) P-C4' energy: -58.663 flat angles C4'-P-C4' energy: -70.469 flat angles P-C4'-P energy: -41.891 tors. eta vs tors. theta energy: -79.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -869.199793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.199793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.199793 (E_RNA) where: Base-Base interactions energy: -583.931 where: short stacking energy: -257.391 Base-Backbone interact. energy: -0.952 local terms energy: -284.317110 where: bonds (distance) C4'-P energy: -51.185 bonds (distance) P-C4' energy: -59.424 flat angles C4'-P-C4' energy: -63.503 flat angles P-C4'-P energy: -38.797 tors. eta vs tors. theta energy: -71.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -762.721975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.721975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.721975 (E_RNA) where: Base-Base interactions energy: -494.045 where: short stacking energy: -218.564 Base-Backbone interact. energy: -0.862 local terms energy: -267.815456 where: bonds (distance) C4'-P energy: -55.593 bonds (distance) P-C4' energy: -64.271 flat angles C4'-P-C4' energy: -55.086 flat angles P-C4'-P energy: -39.983 tors. eta vs tors. theta energy: -52.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -569.999935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.999935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.999935 (E_RNA) where: Base-Base interactions energy: -329.983 where: short stacking energy: -161.649 Base-Backbone interact. energy: -1.670 local terms energy: -238.346992 where: bonds (distance) C4'-P energy: -70.266 bonds (distance) P-C4' energy: -55.966 flat angles C4'-P-C4' energy: -51.678 flat angles P-C4'-P energy: -23.023 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: 9, replica: 10 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -522.942323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.942323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.942323 (E_RNA) where: Base-Base interactions energy: -304.249 where: short stacking energy: -150.162 Base-Backbone interact. energy: -1.283 local terms energy: -217.410535 where: bonds (distance) C4'-P energy: -53.117 bonds (distance) P-C4' energy: -61.819 flat angles C4'-P-C4' energy: -54.025 flat angles P-C4'-P energy: -22.212 tors. eta vs tors. theta energy: -26.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -473.897976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.897976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.897976 (E_RNA) where: Base-Base interactions energy: -267.499 where: short stacking energy: -145.185 Base-Backbone interact. energy: -1.192 local terms energy: -205.206524 where: bonds (distance) C4'-P energy: -41.651 bonds (distance) P-C4' energy: -44.965 flat angles C4'-P-C4' energy: -59.556 flat angles P-C4'-P energy: -33.207 tors. eta vs tors. theta energy: -25.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -1178.435802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.435802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.435802 (E_RNA) where: Base-Base interactions energy: -815.347 where: short stacking energy: -347.755 Base-Backbone interact. energy: -0.698 local terms energy: -362.390660 where: bonds (distance) C4'-P energy: -71.051 bonds (distance) P-C4' energy: -58.091 flat angles C4'-P-C4' energy: -67.928 flat angles P-C4'-P energy: -54.068 tors. eta vs tors. theta energy: -111.253 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: 289 Temperature: 0.950000 Total energy: -1073.308211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.308211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.308211 (E_RNA) where: Base-Base interactions energy: -728.224 where: short stacking energy: -310.886 Base-Backbone interact. energy: -1.724 local terms energy: -343.359936 where: bonds (distance) C4'-P energy: -42.877 bonds (distance) P-C4' energy: -67.682 flat angles C4'-P-C4' energy: -76.413 flat angles P-C4'-P energy: -53.596 tors. eta vs tors. theta energy: -102.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -998.256280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.256280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.256280 (E_RNA) where: Base-Base interactions energy: -670.349 where: short stacking energy: -308.849 Base-Backbone interact. energy: -1.227 local terms energy: -326.680953 where: bonds (distance) C4'-P energy: -65.784 bonds (distance) P-C4' energy: -69.165 flat angles C4'-P-C4' energy: -65.705 flat angles P-C4'-P energy: -43.067 tors. eta vs tors. theta energy: -82.960 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: 5 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -986.146406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.146406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.146406 (E_RNA) where: Base-Base interactions energy: -694.895 where: short stacking energy: -270.081 Base-Backbone interact. energy: -2.152 local terms energy: -289.099700 where: bonds (distance) C4'-P energy: -58.872 bonds (distance) P-C4' energy: -49.890 flat angles C4'-P-C4' energy: -61.290 flat angles P-C4'-P energy: -39.482 tors. eta vs tors. theta energy: -79.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -963.643406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.643406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.643406 (E_RNA) where: Base-Base interactions energy: -660.206 where: short stacking energy: -274.999 Base-Backbone interact. energy: -1.375 local terms energy: -302.062718 where: bonds (distance) C4'-P energy: -52.248 bonds (distance) P-C4' energy: -55.248 flat angles C4'-P-C4' energy: -69.642 flat angles P-C4'-P energy: -48.055 tors. eta vs tors. theta energy: -76.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -864.984648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.984648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.984648 (E_RNA) where: Base-Base interactions energy: -565.542 where: short stacking energy: -248.257 Base-Backbone interact. energy: -2.191 local terms energy: -297.252049 where: bonds (distance) C4'-P energy: -57.516 bonds (distance) P-C4' energy: -63.987 flat angles C4'-P-C4' energy: -54.447 flat angles P-C4'-P energy: -49.137 tors. eta vs tors. theta energy: -72.166 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: 289 Temperature: 1.200000 Total energy: -700.638695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.638695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.638695 (E_RNA) where: Base-Base interactions energy: -474.335 where: short stacking energy: -205.124 Base-Backbone interact. energy: 1.398 local terms energy: -227.701985 where: bonds (distance) C4'-P energy: -53.750 bonds (distance) P-C4' energy: -53.295 flat angles C4'-P-C4' energy: -56.974 flat angles P-C4'-P energy: -20.166 tors. eta vs tors. theta energy: -43.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -551.109335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.109335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.109335 (E_RNA) where: Base-Base interactions energy: -309.790 where: short stacking energy: -163.272 Base-Backbone interact. energy: -1.406 local terms energy: -239.912842 where: bonds (distance) C4'-P energy: -53.684 bonds (distance) P-C4' energy: -61.310 flat angles C4'-P-C4' energy: -48.821 flat angles P-C4'-P energy: -41.668 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: 10 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -518.112385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.112385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.112385 (E_RNA) where: Base-Base interactions energy: -295.881 where: short stacking energy: -149.648 Base-Backbone interact. energy: 1.553 local terms energy: -223.784369 where: bonds (distance) C4'-P energy: -35.715 bonds (distance) P-C4' energy: -58.382 flat angles C4'-P-C4' energy: -59.341 flat angles P-C4'-P energy: -44.291 tors. eta vs tors. theta energy: -26.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -523.396813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.396813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.396813 (E_RNA) where: Base-Base interactions energy: -293.013 where: short stacking energy: -144.471 Base-Backbone interact. energy: 2.036 local terms energy: -232.419741 where: bonds (distance) C4'-P energy: -53.466 bonds (distance) P-C4' energy: -68.533 flat angles C4'-P-C4' energy: -51.411 flat angles P-C4'-P energy: -29.406 tors. eta vs tors. theta energy: -29.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -1186.898484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.898484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.898484 (E_RNA) where: Base-Base interactions energy: -829.627 where: short stacking energy: -364.821 Base-Backbone interact. energy: -1.890 local terms energy: -355.381463 where: bonds (distance) C4'-P energy: -66.633 bonds (distance) P-C4' energy: -58.791 flat angles C4'-P-C4' energy: -68.311 flat angles P-C4'-P energy: -51.320 tors. eta vs tors. theta energy: -110.327 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: 290 Temperature: 0.950000 Total energy: -1102.453494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.453494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.453494 (E_RNA) where: Base-Base interactions energy: -764.377 where: short stacking energy: -315.543 Base-Backbone interact. energy: -1.167 local terms energy: -336.909283 where: bonds (distance) C4'-P energy: -59.513 bonds (distance) P-C4' energy: -62.132 flat angles C4'-P-C4' energy: -75.881 flat angles P-C4'-P energy: -44.835 tors. eta vs tors. theta energy: -94.548 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: 1 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -1047.464138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.464138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.464138 (E_RNA) where: Base-Base interactions energy: -725.265 where: short stacking energy: -302.834 Base-Backbone interact. energy: -0.767 local terms energy: -321.431799 where: bonds (distance) C4'-P energy: -63.045 bonds (distance) P-C4' energy: -48.359 flat angles C4'-P-C4' energy: -69.801 flat angles P-C4'-P energy: -44.554 tors. eta vs tors. theta energy: -95.673 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: 5 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -1013.228723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.228723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.228723 (E_RNA) where: Base-Base interactions energy: -708.282 where: short stacking energy: -294.602 Base-Backbone interact. energy: 0.889 local terms energy: -305.835978 where: bonds (distance) C4'-P energy: -54.195 bonds (distance) P-C4' energy: -48.723 flat angles C4'-P-C4' energy: -71.671 flat angles P-C4'-P energy: -48.428 tors. eta vs tors. theta energy: -82.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -946.932886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.932886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.932886 (E_RNA) where: Base-Base interactions energy: -641.714 where: short stacking energy: -287.524 Base-Backbone interact. energy: -1.368 local terms energy: -303.851299 where: bonds (distance) C4'-P energy: -50.409 bonds (distance) P-C4' energy: -62.971 flat angles C4'-P-C4' energy: -57.322 flat angles P-C4'-P energy: -45.673 tors. eta vs tors. theta energy: -87.477 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: 290 Temperature: 1.150000 Total energy: -869.736254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.736254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.736254 (E_RNA) where: Base-Base interactions energy: -583.600 where: short stacking energy: -256.359 Base-Backbone interact. energy: -1.369 local terms energy: -284.767345 where: bonds (distance) C4'-P energy: -51.928 bonds (distance) P-C4' energy: -54.604 flat angles C4'-P-C4' energy: -70.336 flat angles P-C4'-P energy: -38.805 tors. eta vs tors. theta energy: -69.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -684.438115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.438115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.438115 (E_RNA) where: Base-Base interactions energy: -433.392 where: short stacking energy: -187.088 Base-Backbone interact. energy: -3.185 local terms energy: -247.861215 where: bonds (distance) C4'-P energy: -55.944 bonds (distance) P-C4' energy: -58.640 flat angles C4'-P-C4' energy: -61.055 flat angles P-C4'-P energy: -38.630 tors. eta vs tors. theta energy: -33.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -587.357284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.357284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.357284 (E_RNA) where: Base-Base interactions energy: -342.847 where: short stacking energy: -177.309 Base-Backbone interact. energy: 1.754 local terms energy: -246.264047 where: bonds (distance) C4'-P energy: -57.960 bonds (distance) P-C4' energy: -52.045 flat angles C4'-P-C4' energy: -64.754 flat angles P-C4'-P energy: -39.205 tors. eta vs tors. theta energy: -32.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -532.708058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.708058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.708058 (E_RNA) where: Base-Base interactions energy: -342.884 where: short stacking energy: -166.597 Base-Backbone interact. energy: 0.013 local terms energy: -189.837390 where: bonds (distance) C4'-P energy: -43.186 bonds (distance) P-C4' energy: -48.251 flat angles C4'-P-C4' energy: -46.843 flat angles P-C4'-P energy: -31.026 tors. eta vs tors. theta energy: -20.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -502.563265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.563265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.563265 (E_RNA) where: Base-Base interactions energy: -283.986 where: short stacking energy: -134.848 Base-Backbone interact. energy: 0.406 local terms energy: -218.983755 where: bonds (distance) C4'-P energy: -58.840 bonds (distance) P-C4' energy: -49.434 flat angles C4'-P-C4' energy: -56.839 flat angles P-C4'-P energy: -31.173 tors. eta vs tors. theta energy: -22.697 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: 1, replica: 2 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -1185.197397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.197397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.197397 (E_RNA) where: Base-Base interactions energy: -826.686 where: short stacking energy: -361.742 Base-Backbone interact. energy: -0.864 local terms energy: -357.647058 where: bonds (distance) C4'-P energy: -66.231 bonds (distance) P-C4' energy: -67.210 flat angles C4'-P-C4' energy: -65.930 flat angles P-C4'-P energy: -46.668 tors. eta vs tors. theta energy: -111.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -1123.057368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.057368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.057368 (E_RNA) where: Base-Base interactions energy: -768.391 where: short stacking energy: -313.963 Base-Backbone interact. energy: -1.072 local terms energy: -353.594426 where: bonds (distance) C4'-P energy: -70.141 bonds (distance) P-C4' energy: -62.627 flat angles C4'-P-C4' energy: -70.527 flat angles P-C4'-P energy: -54.850 tors. eta vs tors. theta energy: -95.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -1017.359972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.359972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.359972 (E_RNA) where: Base-Base interactions energy: -683.469 where: short stacking energy: -290.216 Base-Backbone interact. energy: 0.282 local terms energy: -334.172990 where: bonds (distance) C4'-P energy: -73.840 bonds (distance) P-C4' energy: -53.781 flat angles C4'-P-C4' energy: -71.656 flat angles P-C4'-P energy: -41.588 tors. eta vs tors. theta energy: -93.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -1020.652485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.652485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.652485 (E_RNA) where: Base-Base interactions energy: -697.242 where: short stacking energy: -286.139 Base-Backbone interact. energy: -1.796 local terms energy: -321.615116 where: bonds (distance) C4'-P energy: -48.095 bonds (distance) P-C4' energy: -61.679 flat angles C4'-P-C4' energy: -66.995 flat angles P-C4'-P energy: -58.555 tors. eta vs tors. theta energy: -86.291 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: 5, replica: 8 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -955.359836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.359836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.359836 (E_RNA) where: Base-Base interactions energy: -654.050 where: short stacking energy: -296.632 Base-Backbone interact. energy: -0.705 local terms energy: -300.605546 where: bonds (distance) C4'-P energy: -56.138 bonds (distance) P-C4' energy: -55.065 flat angles C4'-P-C4' energy: -68.953 flat angles P-C4'-P energy: -39.743 tors. eta vs tors. theta energy: -80.706 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: 4 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -892.218559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.218559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.218559 (E_RNA) where: Base-Base interactions energy: -588.603 where: short stacking energy: -257.019 Base-Backbone interact. energy: -0.652 local terms energy: -302.964043 where: bonds (distance) C4'-P energy: -57.679 bonds (distance) P-C4' energy: -63.798 flat angles C4'-P-C4' energy: -59.267 flat angles P-C4'-P energy: -34.333 tors. eta vs tors. theta energy: -87.887 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: 7 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -721.929890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.929890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.929890 (E_RNA) where: Base-Base interactions energy: -451.196 where: short stacking energy: -230.237 Base-Backbone interact. energy: -0.553 local terms energy: -270.180416 where: bonds (distance) C4'-P energy: -58.877 bonds (distance) P-C4' energy: -51.628 flat angles C4'-P-C4' energy: -53.378 flat angles P-C4'-P energy: -50.952 tors. eta vs tors. theta energy: -55.345 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: 9 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -569.275102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.275102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.275102 (E_RNA) where: Base-Base interactions energy: -345.418 where: short stacking energy: -177.372 Base-Backbone interact. energy: -3.181 local terms energy: -220.676225 where: bonds (distance) C4'-P energy: -52.418 bonds (distance) P-C4' energy: -55.038 flat angles C4'-P-C4' energy: -50.084 flat angles P-C4'-P energy: -33.430 tors. eta vs tors. theta energy: -29.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -540.916894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.916894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.916894 (E_RNA) where: Base-Base interactions energy: -317.855 where: short stacking energy: -167.010 Base-Backbone interact. energy: -1.138 local terms energy: -221.924070 where: bonds (distance) C4'-P energy: -46.591 bonds (distance) P-C4' energy: -58.650 flat angles C4'-P-C4' energy: -45.376 flat angles P-C4'-P energy: -33.579 tors. eta vs tors. theta energy: -37.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -511.375803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.375803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.375803 (E_RNA) where: Base-Base interactions energy: -304.846 where: short stacking energy: -133.869 Base-Backbone interact. energy: 2.857 local terms energy: -209.387400 where: bonds (distance) C4'-P energy: -45.458 bonds (distance) P-C4' energy: -53.051 flat angles C4'-P-C4' energy: -48.817 flat angles P-C4'-P energy: -38.146 tors. eta vs tors. theta energy: -23.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -1167.032271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.032271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.032271 (E_RNA) where: Base-Base interactions energy: -813.851 where: short stacking energy: -362.934 Base-Backbone interact. energy: -1.391 local terms energy: -351.790333 where: bonds (distance) C4'-P energy: -56.188 bonds (distance) P-C4' energy: -65.053 flat angles C4'-P-C4' energy: -72.751 flat angles P-C4'-P energy: -47.129 tors. eta vs tors. theta energy: -110.669 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: 3 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -1085.750478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.750478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.750478 (E_RNA) where: Base-Base interactions energy: -742.615 where: short stacking energy: -317.640 Base-Backbone interact. energy: -0.523 local terms energy: -342.612430 where: bonds (distance) C4'-P energy: -61.086 bonds (distance) P-C4' energy: -62.399 flat angles C4'-P-C4' energy: -76.590 flat angles P-C4'-P energy: -46.815 tors. eta vs tors. theta energy: -95.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -1004.372398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.372398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.372398 (E_RNA) where: Base-Base interactions energy: -684.066 where: short stacking energy: -287.342 Base-Backbone interact. energy: -1.591 local terms energy: -318.715928 where: bonds (distance) C4'-P energy: -51.482 bonds (distance) P-C4' energy: -60.395 flat angles C4'-P-C4' energy: -68.246 flat angles P-C4'-P energy: -47.331 tors. eta vs tors. theta energy: -91.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -991.039400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.039400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.039400 (E_RNA) where: Base-Base interactions energy: -681.048 where: short stacking energy: -281.319 Base-Backbone interact. energy: -2.432 local terms energy: -307.559198 where: bonds (distance) C4'-P energy: -53.936 bonds (distance) P-C4' energy: -68.678 flat angles C4'-P-C4' energy: -51.066 flat angles P-C4'-P energy: -48.792 tors. eta vs tors. theta energy: -85.087 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: 5, replica: 4 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -911.839400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.839400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.839400 (E_RNA) where: Base-Base interactions energy: -623.520 where: short stacking energy: -268.816 Base-Backbone interact. energy: -1.129 local terms energy: -287.189909 where: bonds (distance) C4'-P energy: -52.852 bonds (distance) P-C4' energy: -59.181 flat angles C4'-P-C4' energy: -63.095 flat angles P-C4'-P energy: -42.338 tors. eta vs tors. theta energy: -69.724 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: 8 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -935.054042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.054042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.054042 (E_RNA) where: Base-Base interactions energy: -644.331 where: short stacking energy: -280.451 Base-Backbone interact. energy: 4.274 local terms energy: -294.996544 where: bonds (distance) C4'-P energy: -54.638 bonds (distance) P-C4' energy: -56.800 flat angles C4'-P-C4' energy: -56.825 flat angles P-C4'-P energy: -49.826 tors. eta vs tors. theta energy: -76.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -732.897822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.897822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.897822 (E_RNA) where: Base-Base interactions energy: -480.887 where: short stacking energy: -216.689 Base-Backbone interact. energy: -1.987 local terms energy: -250.024279 where: bonds (distance) C4'-P energy: -50.469 bonds (distance) P-C4' energy: -57.741 flat angles C4'-P-C4' energy: -54.379 flat angles P-C4'-P energy: -34.748 tors. eta vs tors. theta energy: -52.687 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: 9 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -547.378581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.378581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.378581 (E_RNA) where: Base-Base interactions energy: -343.711 where: short stacking energy: -167.228 Base-Backbone interact. energy: 1.496 local terms energy: -205.163493 where: bonds (distance) C4'-P energy: -42.664 bonds (distance) P-C4' energy: -44.736 flat angles C4'-P-C4' energy: -57.540 flat angles P-C4'-P energy: -39.165 tors. eta vs tors. theta energy: -21.059 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: 10 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -525.945165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.945165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.945165 (E_RNA) where: Base-Base interactions energy: -325.922 where: short stacking energy: -156.438 Base-Backbone interact. energy: 0.177 local terms energy: -200.200255 where: bonds (distance) C4'-P energy: -53.248 bonds (distance) P-C4' energy: -49.599 flat angles C4'-P-C4' energy: -48.309 flat angles P-C4'-P energy: -23.984 tors. eta vs tors. theta energy: -25.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -449.156628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.156628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.156628 (E_RNA) where: Base-Base interactions energy: -246.587 where: short stacking energy: -126.985 Base-Backbone interact. energy: 1.826 local terms energy: -204.394848 where: bonds (distance) C4'-P energy: -40.558 bonds (distance) P-C4' energy: -53.349 flat angles C4'-P-C4' energy: -58.473 flat angles P-C4'-P energy: -32.416 tors. eta vs tors. theta energy: -19.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -1179.412143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.412143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.412143 (E_RNA) where: Base-Base interactions energy: -816.879 where: short stacking energy: -356.900 Base-Backbone interact. energy: -1.450 local terms energy: -361.082364 where: bonds (distance) C4'-P energy: -59.730 bonds (distance) P-C4' energy: -71.909 flat angles C4'-P-C4' energy: -72.923 flat angles P-C4'-P energy: -46.630 tors. eta vs tors. theta energy: -109.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -1068.287310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.287310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.287310 (E_RNA) where: Base-Base interactions energy: -726.347 where: short stacking energy: -314.121 Base-Backbone interact. energy: -2.799 local terms energy: -339.140968 where: bonds (distance) C4'-P energy: -60.046 bonds (distance) P-C4' energy: -70.107 flat angles C4'-P-C4' energy: -69.021 flat angles P-C4'-P energy: -47.276 tors. eta vs tors. theta energy: -92.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -1021.192476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.192476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.192476 (E_RNA) where: Base-Base interactions energy: -699.507 where: short stacking energy: -310.344 Base-Backbone interact. energy: 0.284 local terms energy: -321.969509 where: bonds (distance) C4'-P energy: -53.413 bonds (distance) P-C4' energy: -56.407 flat angles C4'-P-C4' energy: -72.958 flat angles P-C4'-P energy: -47.630 tors. eta vs tors. theta energy: -91.562 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: 4 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -902.559589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.559589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.559589 (E_RNA) where: Base-Base interactions energy: -606.224 where: short stacking energy: -276.924 Base-Backbone interact. energy: -1.208 local terms energy: -295.127703 where: bonds (distance) C4'-P energy: -50.963 bonds (distance) P-C4' energy: -58.566 flat angles C4'-P-C4' energy: -73.759 flat angles P-C4'-P energy: -34.571 tors. eta vs tors. theta energy: -77.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -969.937360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.937360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.937360 (E_RNA) where: Base-Base interactions energy: -667.061 where: short stacking energy: -288.492 Base-Backbone interact. energy: -1.548 local terms energy: -301.328391 where: bonds (distance) C4'-P energy: -60.723 bonds (distance) P-C4' energy: -55.334 flat angles C4'-P-C4' energy: -59.549 flat angles P-C4'-P energy: -43.005 tors. eta vs tors. theta energy: -82.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -921.011616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.011616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.011616 (E_RNA) where: Base-Base interactions energy: -634.938 where: short stacking energy: -281.395 Base-Backbone interact. energy: -0.401 local terms energy: -285.672561 where: bonds (distance) C4'-P energy: -50.865 bonds (distance) P-C4' energy: -57.803 flat angles C4'-P-C4' energy: -56.923 flat angles P-C4'-P energy: -42.198 tors. eta vs tors. theta energy: -77.883 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: 7 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -731.991855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.991855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.991855 (E_RNA) where: Base-Base interactions energy: -473.148 where: short stacking energy: -204.512 Base-Backbone interact. energy: 0.206 local terms energy: -259.049345 where: bonds (distance) C4'-P energy: -58.313 bonds (distance) P-C4' energy: -65.648 flat angles C4'-P-C4' energy: -56.018 flat angles P-C4'-P energy: -28.518 tors. eta vs tors. theta energy: -50.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -548.847149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.847149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.847149 (E_RNA) where: Base-Base interactions energy: -332.028 where: short stacking energy: -167.848 Base-Backbone interact. energy: -1.539 local terms energy: -215.280208 where: bonds (distance) C4'-P energy: -50.480 bonds (distance) P-C4' energy: -51.655 flat angles C4'-P-C4' energy: -59.992 flat angles P-C4'-P energy: -23.156 tors. eta vs tors. theta energy: -29.998 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: 9 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -530.915205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.915205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.915205 (E_RNA) where: Base-Base interactions energy: -314.477 where: short stacking energy: -154.266 Base-Backbone interact. energy: 0.864 local terms energy: -217.301377 where: bonds (distance) C4'-P energy: -45.569 bonds (distance) P-C4' energy: -48.819 flat angles C4'-P-C4' energy: -61.339 flat angles P-C4'-P energy: -27.609 tors. eta vs tors. theta energy: -33.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -460.268824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.268824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.268824 (E_RNA) where: Base-Base interactions energy: -259.294 where: short stacking energy: -127.066 Base-Backbone interact. energy: -1.161 local terms energy: -199.814033 where: bonds (distance) C4'-P energy: -46.809 bonds (distance) P-C4' energy: -57.239 flat angles C4'-P-C4' energy: -58.634 flat angles P-C4'-P energy: -22.466 tors. eta vs tors. theta energy: -14.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -1183.859929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.859929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.859929 (E_RNA) where: Base-Base interactions energy: -818.780 where: short stacking energy: -363.819 Base-Backbone interact. energy: 0.445 local terms energy: -365.525621 where: bonds (distance) C4'-P energy: -64.966 bonds (distance) P-C4' energy: -70.941 flat angles C4'-P-C4' energy: -75.140 flat angles P-C4'-P energy: -47.241 tors. eta vs tors. theta energy: -107.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -1100.656730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.656730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.656730 (E_RNA) where: Base-Base interactions energy: -758.525 where: short stacking energy: -328.046 Base-Backbone interact. energy: -1.026 local terms energy: -341.105360 where: bonds (distance) C4'-P energy: -58.094 bonds (distance) P-C4' energy: -72.283 flat angles C4'-P-C4' energy: -69.976 flat angles P-C4'-P energy: -44.961 tors. eta vs tors. theta energy: -95.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -1022.003155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.003155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.003155 (E_RNA) where: Base-Base interactions energy: -683.165 where: short stacking energy: -290.075 Base-Backbone interact. energy: -1.055 local terms energy: -337.782904 where: bonds (distance) C4'-P energy: -58.637 bonds (distance) P-C4' energy: -66.508 flat angles C4'-P-C4' energy: -67.038 flat angles P-C4'-P energy: -50.385 tors. eta vs tors. theta energy: -95.214 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: 4 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -896.032074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.032074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.032074 (E_RNA) where: Base-Base interactions energy: -605.180 where: short stacking energy: -269.172 Base-Backbone interact. energy: -0.311 local terms energy: -290.540620 where: bonds (distance) C4'-P energy: -54.976 bonds (distance) P-C4' energy: -60.502 flat angles C4'-P-C4' energy: -63.255 flat angles P-C4'-P energy: -47.394 tors. eta vs tors. theta energy: -64.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -950.133260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.133260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.133260 (E_RNA) where: Base-Base interactions energy: -648.140 where: short stacking energy: -278.893 Base-Backbone interact. energy: -1.474 local terms energy: -300.519797 where: bonds (distance) C4'-P energy: -53.370 bonds (distance) P-C4' energy: -58.414 flat angles C4'-P-C4' energy: -67.049 flat angles P-C4'-P energy: -40.145 tors. eta vs tors. theta energy: -81.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -927.685250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.685250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.685250 (E_RNA) where: Base-Base interactions energy: -629.471 where: short stacking energy: -271.484 Base-Backbone interact. energy: -0.779 local terms energy: -297.435208 where: bonds (distance) C4'-P energy: -54.272 bonds (distance) P-C4' energy: -62.441 flat angles C4'-P-C4' energy: -64.586 flat angles P-C4'-P energy: -35.552 tors. eta vs tors. theta energy: -80.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -744.842865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.842865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.842865 (E_RNA) where: Base-Base interactions energy: -510.757 where: short stacking energy: -215.290 Base-Backbone interact. energy: 0.685 local terms energy: -234.771275 where: bonds (distance) C4'-P energy: -57.239 bonds (distance) P-C4' energy: -50.518 flat angles C4'-P-C4' energy: -48.742 flat angles P-C4'-P energy: -28.741 tors. eta vs tors. theta energy: -49.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -586.741243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.741243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.741243 (E_RNA) where: Base-Base interactions energy: -358.586 where: short stacking energy: -198.003 Base-Backbone interact. energy: -0.463 local terms energy: -227.691954 where: bonds (distance) C4'-P energy: -52.920 bonds (distance) P-C4' energy: -50.886 flat angles C4'-P-C4' energy: -52.074 flat angles P-C4'-P energy: -24.220 tors. eta vs tors. theta energy: -47.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -558.490052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.490052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.490052 (E_RNA) where: Base-Base interactions energy: -341.211 where: short stacking energy: -172.377 Base-Backbone interact. energy: 3.489 local terms energy: -220.767926 where: bonds (distance) C4'-P energy: -48.184 bonds (distance) P-C4' energy: -61.978 flat angles C4'-P-C4' energy: -58.362 flat angles P-C4'-P energy: -21.789 tors. eta vs tors. theta energy: -30.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -415.517974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.517974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.517974 (E_RNA) where: Base-Base interactions energy: -235.858 where: short stacking energy: -122.152 Base-Backbone interact. energy: -1.210 local terms energy: -178.450330 where: bonds (distance) C4'-P energy: -48.562 bonds (distance) P-C4' energy: -55.974 flat angles C4'-P-C4' energy: -43.513 flat angles P-C4'-P energy: -21.923 tors. eta vs tors. theta energy: -8.478 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: 1, replica: 2 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -1183.548733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.548733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.548733 (E_RNA) where: Base-Base interactions energy: -823.128 where: short stacking energy: -352.690 Base-Backbone interact. energy: -0.017 local terms energy: -360.402838 where: bonds (distance) C4'-P energy: -66.851 bonds (distance) P-C4' energy: -50.382 flat angles C4'-P-C4' energy: -76.129 flat angles P-C4'-P energy: -53.746 tors. eta vs tors. theta energy: -113.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -1095.191677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.191677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.191677 (E_RNA) where: Base-Base interactions energy: -751.950 where: short stacking energy: -305.159 Base-Backbone interact. energy: -1.544 local terms energy: -341.697355 where: bonds (distance) C4'-P energy: -62.104 bonds (distance) P-C4' energy: -61.447 flat angles C4'-P-C4' energy: -70.352 flat angles P-C4'-P energy: -53.618 tors. eta vs tors. theta energy: -94.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -1027.995990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.995990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.995990 (E_RNA) where: Base-Base interactions energy: -702.631 where: short stacking energy: -311.103 Base-Backbone interact. energy: -1.216 local terms energy: -324.149216 where: bonds (distance) C4'-P energy: -55.889 bonds (distance) P-C4' energy: -66.815 flat angles C4'-P-C4' energy: -69.287 flat angles P-C4'-P energy: -42.749 tors. eta vs tors. theta energy: -89.410 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: 5 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -976.350857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.350857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.350857 (E_RNA) where: Base-Base interactions energy: -656.214 where: short stacking energy: -275.649 Base-Backbone interact. energy: 2.736 local terms energy: -322.872929 where: bonds (distance) C4'-P energy: -56.282 bonds (distance) P-C4' energy: -60.386 flat angles C4'-P-C4' energy: -71.584 flat angles P-C4'-P energy: -49.310 tors. eta vs tors. theta energy: -85.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -884.527520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.527520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.527520 (E_RNA) where: Base-Base interactions energy: -580.068 where: short stacking energy: -269.436 Base-Backbone interact. energy: -2.295 local terms energy: -302.164122 where: bonds (distance) C4'-P energy: -57.967 bonds (distance) P-C4' energy: -58.330 flat angles C4'-P-C4' energy: -70.460 flat angles P-C4'-P energy: -43.430 tors. eta vs tors. theta energy: -71.978 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: 8 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -912.501369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.501369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.501369 (E_RNA) where: Base-Base interactions energy: -636.234 where: short stacking energy: -263.741 Base-Backbone interact. energy: 1.329 local terms energy: -277.596728 where: bonds (distance) C4'-P energy: -44.200 bonds (distance) P-C4' energy: -53.204 flat angles C4'-P-C4' energy: -63.336 flat angles P-C4'-P energy: -32.545 tors. eta vs tors. theta energy: -84.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -735.516170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.516170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.516170 (E_RNA) where: Base-Base interactions energy: -497.610 where: short stacking energy: -227.855 Base-Backbone interact. energy: -0.339 local terms energy: -237.567654 where: bonds (distance) C4'-P energy: -42.980 bonds (distance) P-C4' energy: -53.135 flat angles C4'-P-C4' energy: -49.399 flat angles P-C4'-P energy: -42.566 tors. eta vs tors. theta energy: -49.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -554.058601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.058601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.058601 (E_RNA) where: Base-Base interactions energy: -323.068 where: short stacking energy: -144.647 Base-Backbone interact. energy: -0.581 local terms energy: -230.409646 where: bonds (distance) C4'-P energy: -60.007 bonds (distance) P-C4' energy: -63.407 flat angles C4'-P-C4' energy: -57.414 flat angles P-C4'-P energy: -33.935 tors. eta vs tors. theta energy: -15.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -539.898200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.898200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.898200 (E_RNA) where: Base-Base interactions energy: -309.698 where: short stacking energy: -157.503 Base-Backbone interact. energy: -0.634 local terms energy: -229.566137 where: bonds (distance) C4'-P energy: -53.996 bonds (distance) P-C4' energy: -56.648 flat angles C4'-P-C4' energy: -55.218 flat angles P-C4'-P energy: -38.808 tors. eta vs tors. theta energy: -24.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -444.848886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.848886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.848886 (E_RNA) where: Base-Base interactions energy: -232.661 where: short stacking energy: -114.710 Base-Backbone interact. energy: -2.989 local terms energy: -209.199196 where: bonds (distance) C4'-P energy: -55.069 bonds (distance) P-C4' energy: -60.073 flat angles C4'-P-C4' energy: -53.616 flat angles P-C4'-P energy: -23.894 tors. eta vs tors. theta energy: -16.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -1182.855932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.855932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.855932 (E_RNA) where: Base-Base interactions energy: -809.841 where: short stacking energy: -345.268 Base-Backbone interact. energy: -3.384 local terms energy: -369.631454 where: bonds (distance) C4'-P energy: -56.315 bonds (distance) P-C4' energy: -71.538 flat angles C4'-P-C4' energy: -73.363 flat angles P-C4'-P energy: -56.128 tors. eta vs tors. theta energy: -112.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -1085.955413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.955413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.955413 (E_RNA) where: Base-Base interactions energy: -742.951 where: short stacking energy: -304.018 Base-Backbone interact. energy: -1.318 local terms energy: -341.685832 where: bonds (distance) C4'-P energy: -63.736 bonds (distance) P-C4' energy: -64.178 flat angles C4'-P-C4' energy: -70.093 flat angles P-C4'-P energy: -49.914 tors. eta vs tors. theta energy: -93.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -1019.854726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.854726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.854726 (E_RNA) where: Base-Base interactions energy: -685.332 where: short stacking energy: -305.841 Base-Backbone interact. energy: -1.465 local terms energy: -333.057600 where: bonds (distance) C4'-P energy: -59.989 bonds (distance) P-C4' energy: -65.355 flat angles C4'-P-C4' energy: -71.223 flat angles P-C4'-P energy: -45.514 tors. eta vs tors. theta energy: -90.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -965.730932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.730932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.730932 (E_RNA) where: Base-Base interactions energy: -655.501 where: short stacking energy: -289.171 Base-Backbone interact. energy: 0.978 local terms energy: -311.208304 where: bonds (distance) C4'-P energy: -59.436 bonds (distance) P-C4' energy: -62.307 flat angles C4'-P-C4' energy: -63.627 flat angles P-C4'-P energy: -44.490 tors. eta vs tors. theta energy: -81.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -932.498259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.498259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.498259 (E_RNA) where: Base-Base interactions energy: -648.663 where: short stacking energy: -267.085 Base-Backbone interact. energy: 2.917 local terms energy: -286.752146 where: bonds (distance) C4'-P energy: -55.511 bonds (distance) P-C4' energy: -51.949 flat angles C4'-P-C4' energy: -59.103 flat angles P-C4'-P energy: -40.747 tors. eta vs tors. theta energy: -79.442 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: 4 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -878.615465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.615465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.615465 (E_RNA) where: Base-Base interactions energy: -583.257 where: short stacking energy: -270.315 Base-Backbone interact. energy: 1.039 local terms energy: -296.397220 where: bonds (distance) C4'-P energy: -52.853 bonds (distance) P-C4' energy: -63.585 flat angles C4'-P-C4' energy: -64.869 flat angles P-C4'-P energy: -43.665 tors. eta vs tors. theta energy: -71.426 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: 7, replica: 7 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -692.287230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.287230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.287230 (E_RNA) where: Base-Base interactions energy: -428.558 where: short stacking energy: -178.793 Base-Backbone interact. energy: -1.935 local terms energy: -261.794011 where: bonds (distance) C4'-P energy: -63.843 bonds (distance) P-C4' energy: -64.355 flat angles C4'-P-C4' energy: -51.650 flat angles P-C4'-P energy: -40.378 tors. eta vs tors. theta energy: -41.568 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: 9 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -555.774675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.774675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.774675 (E_RNA) where: Base-Base interactions energy: -337.813 where: short stacking energy: -165.356 Base-Backbone interact. energy: 0.160 local terms energy: -218.122141 where: bonds (distance) C4'-P energy: -53.506 bonds (distance) P-C4' energy: -60.447 flat angles C4'-P-C4' energy: -43.309 flat angles P-C4'-P energy: -35.022 tors. eta vs tors. theta energy: -25.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -544.635610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.635610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.635610 (E_RNA) where: Base-Base interactions energy: -318.770 where: short stacking energy: -150.455 Base-Backbone interact. energy: -3.005 local terms energy: -222.860520 where: bonds (distance) C4'-P energy: -53.279 bonds (distance) P-C4' energy: -45.787 flat angles C4'-P-C4' energy: -59.732 flat angles P-C4'-P energy: -38.668 tors. eta vs tors. theta energy: -25.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -494.018749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.018749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.018749 (E_RNA) where: Base-Base interactions energy: -284.327 where: short stacking energy: -146.632 Base-Backbone interact. energy: 0.406 local terms energy: -210.098262 where: bonds (distance) C4'-P energy: -51.202 bonds (distance) P-C4' energy: -53.511 flat angles C4'-P-C4' energy: -50.784 flat angles P-C4'-P energy: -38.236 tors. eta vs tors. theta energy: -16.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -1176.440008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.440008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.440008 (E_RNA) where: Base-Base interactions energy: -814.340 where: short stacking energy: -357.377 Base-Backbone interact. energy: -0.149 local terms energy: -361.951696 where: bonds (distance) C4'-P energy: -55.100 bonds (distance) P-C4' energy: -67.726 flat angles C4'-P-C4' energy: -78.534 flat angles P-C4'-P energy: -47.987 tors. eta vs tors. theta energy: -112.605 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: 2, replica: 3 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -1090.986250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.986250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.986250 (E_RNA) where: Base-Base interactions energy: -753.584 where: short stacking energy: -317.043 Base-Backbone interact. energy: 1.601 local terms energy: -339.002735 where: bonds (distance) C4'-P energy: -58.737 bonds (distance) P-C4' energy: -63.298 flat angles C4'-P-C4' energy: -73.326 flat angles P-C4'-P energy: -50.987 tors. eta vs tors. theta energy: -92.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -1023.944944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.944944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.944944 (E_RNA) where: Base-Base interactions energy: -693.357 where: short stacking energy: -305.460 Base-Backbone interact. energy: -0.731 local terms energy: -329.856763 where: bonds (distance) C4'-P energy: -59.847 bonds (distance) P-C4' energy: -63.792 flat angles C4'-P-C4' energy: -62.469 flat angles P-C4'-P energy: -53.139 tors. eta vs tors. theta energy: -90.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -983.784920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.784920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.784920 (E_RNA) where: Base-Base interactions energy: -674.026 where: short stacking energy: -288.679 Base-Backbone interact. energy: 0.049 local terms energy: -309.807689 where: bonds (distance) C4'-P energy: -59.136 bonds (distance) P-C4' energy: -60.494 flat angles C4'-P-C4' energy: -66.121 flat angles P-C4'-P energy: -43.237 tors. eta vs tors. theta energy: -80.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -1004.597550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.597550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.597550 (E_RNA) where: Base-Base interactions energy: -687.569 where: short stacking energy: -294.113 Base-Backbone interact. energy: -1.647 local terms energy: -315.381157 where: bonds (distance) C4'-P energy: -61.203 bonds (distance) P-C4' energy: -62.435 flat angles C4'-P-C4' energy: -65.663 flat angles P-C4'-P energy: -38.738 tors. eta vs tors. theta energy: -87.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -888.915122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.915122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.915122 (E_RNA) where: Base-Base interactions energy: -605.755 where: short stacking energy: -268.878 Base-Backbone interact. energy: 0.347 local terms energy: -283.507600 where: bonds (distance) C4'-P energy: -57.229 bonds (distance) P-C4' energy: -52.788 flat angles C4'-P-C4' energy: -61.582 flat angles P-C4'-P energy: -39.064 tors. eta vs tors. theta energy: -72.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -742.586698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.586698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.586698 (E_RNA) where: Base-Base interactions energy: -476.752 where: short stacking energy: -225.455 Base-Backbone interact. energy: 0.160 local terms energy: -265.995295 where: bonds (distance) C4'-P energy: -44.745 bonds (distance) P-C4' energy: -59.858 flat angles C4'-P-C4' energy: -60.269 flat angles P-C4'-P energy: -37.876 tors. eta vs tors. theta energy: -63.247 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: 9 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -555.390137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.390137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.390137 (E_RNA) where: Base-Base interactions energy: -340.409 where: short stacking energy: -181.650 Base-Backbone interact. energy: -2.753 local terms energy: -212.227961 where: bonds (distance) C4'-P energy: -56.107 bonds (distance) P-C4' energy: -57.721 flat angles C4'-P-C4' energy: -36.158 flat angles P-C4'-P energy: -25.967 tors. eta vs tors. theta energy: -36.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -579.215382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.215382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.215382 (E_RNA) where: Base-Base interactions energy: -364.134 where: short stacking energy: -168.915 Base-Backbone interact. energy: 0.933 local terms energy: -216.015190 where: bonds (distance) C4'-P energy: -44.224 bonds (distance) P-C4' energy: -47.913 flat angles C4'-P-C4' energy: -54.335 flat angles P-C4'-P energy: -31.008 tors. eta vs tors. theta energy: -38.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -416.461807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.461807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.461807 (E_RNA) where: Base-Base interactions energy: -227.533 where: short stacking energy: -104.253 Base-Backbone interact. energy: 0.130 local terms energy: -189.059017 where: bonds (distance) C4'-P energy: -34.076 bonds (distance) P-C4' energy: -53.478 flat angles C4'-P-C4' energy: -54.581 flat angles P-C4'-P energy: -38.488 tors. eta vs tors. theta energy: -8.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -1192.690608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.690608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.690608 (E_RNA) where: Base-Base interactions energy: -818.140 where: short stacking energy: -352.835 Base-Backbone interact. energy: 0.372 local terms energy: -374.922166 where: bonds (distance) C4'-P energy: -68.065 bonds (distance) P-C4' energy: -69.342 flat angles C4'-P-C4' energy: -73.583 flat angles P-C4'-P energy: -49.932 tors. eta vs tors. theta energy: -113.999 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: 3 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -1068.400288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.400288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.400288 (E_RNA) where: Base-Base interactions energy: -726.292 where: short stacking energy: -312.828 Base-Backbone interact. energy: -0.809 local terms energy: -341.298765 where: bonds (distance) C4'-P energy: -59.040 bonds (distance) P-C4' energy: -70.351 flat angles C4'-P-C4' energy: -80.396 flat angles P-C4'-P energy: -35.885 tors. eta vs tors. theta energy: -95.626 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: 5 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -1022.267591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.267591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.267591 (E_RNA) where: Base-Base interactions energy: -693.300 where: short stacking energy: -302.391 Base-Backbone interact. energy: 1.499 local terms energy: -330.465835 where: bonds (distance) C4'-P energy: -66.722 bonds (distance) P-C4' energy: -61.371 flat angles C4'-P-C4' energy: -72.284 flat angles P-C4'-P energy: -47.281 tors. eta vs tors. theta energy: -82.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -988.546322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.546322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.546322 (E_RNA) where: Base-Base interactions energy: -672.102 where: short stacking energy: -283.875 Base-Backbone interact. energy: -0.952 local terms energy: -315.492173 where: bonds (distance) C4'-P energy: -53.308 bonds (distance) P-C4' energy: -56.313 flat angles C4'-P-C4' energy: -68.272 flat angles P-C4'-P energy: -51.378 tors. eta vs tors. theta energy: -86.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -958.476432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.476432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.476432 (E_RNA) where: Base-Base interactions energy: -665.714 where: short stacking energy: -287.073 Base-Backbone interact. energy: -2.755 local terms energy: -290.006967 where: bonds (distance) C4'-P energy: -47.753 bonds (distance) P-C4' energy: -58.057 flat angles C4'-P-C4' energy: -63.746 flat angles P-C4'-P energy: -38.486 tors. eta vs tors. theta energy: -81.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -901.444923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.444923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.444923 (E_RNA) where: Base-Base interactions energy: -627.246 where: short stacking energy: -277.597 Base-Backbone interact. energy: -2.037 local terms energy: -272.162474 where: bonds (distance) C4'-P energy: -53.857 bonds (distance) P-C4' energy: -41.126 flat angles C4'-P-C4' energy: -64.376 flat angles P-C4'-P energy: -33.421 tors. eta vs tors. theta energy: -79.383 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: 7 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -729.326552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.326552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.326552 (E_RNA) where: Base-Base interactions energy: -460.181 where: short stacking energy: -197.951 Base-Backbone interact. energy: 4.491 local terms energy: -273.636566 where: bonds (distance) C4'-P energy: -49.554 bonds (distance) P-C4' energy: -63.682 flat angles C4'-P-C4' energy: -58.306 flat angles P-C4'-P energy: -40.127 tors. eta vs tors. theta energy: -61.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -540.092974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.092974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.092974 (E_RNA) where: Base-Base interactions energy: -332.403 where: short stacking energy: -145.017 Base-Backbone interact. energy: 3.289 local terms energy: -210.979182 where: bonds (distance) C4'-P energy: -55.775 bonds (distance) P-C4' energy: -58.417 flat angles C4'-P-C4' energy: -53.463 flat angles P-C4'-P energy: -33.665 tors. eta vs tors. theta energy: -9.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -544.730363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.730363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.730363 (E_RNA) where: Base-Base interactions energy: -319.193 where: short stacking energy: -151.002 Base-Backbone interact. energy: 0.274 local terms energy: -225.811290 where: bonds (distance) C4'-P energy: -46.697 bonds (distance) P-C4' energy: -55.726 flat angles C4'-P-C4' energy: -59.462 flat angles P-C4'-P energy: -40.632 tors. eta vs tors. theta energy: -23.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -442.728242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.728242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.728242 (E_RNA) where: Base-Base interactions energy: -243.989 where: short stacking energy: -104.655 Base-Backbone interact. energy: 1.610 local terms energy: -200.348760 where: bonds (distance) C4'-P energy: -47.697 bonds (distance) P-C4' energy: -60.245 flat angles C4'-P-C4' energy: -51.155 flat angles P-C4'-P energy: -33.974 tors. eta vs tors. theta energy: -7.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -1204.750657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.750657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.750657 (E_RNA) where: Base-Base interactions energy: -820.101 where: short stacking energy: -351.547 Base-Backbone interact. energy: -0.414 local terms energy: -384.235126 where: bonds (distance) C4'-P energy: -59.079 bonds (distance) P-C4' energy: -70.615 flat angles C4'-P-C4' energy: -79.895 flat angles P-C4'-P energy: -62.181 tors. eta vs tors. theta energy: -112.467 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: 2, replica: 3 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -1102.740670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.740670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.740670 (E_RNA) where: Base-Base interactions energy: -759.961 where: short stacking energy: -331.161 Base-Backbone interact. energy: -0.995 local terms energy: -341.784347 where: bonds (distance) C4'-P energy: -57.820 bonds (distance) P-C4' energy: -64.168 flat angles C4'-P-C4' energy: -72.450 flat angles P-C4'-P energy: -45.443 tors. eta vs tors. theta energy: -101.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -1032.276935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.276935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.276935 (E_RNA) where: Base-Base interactions energy: -696.979 where: short stacking energy: -306.360 Base-Backbone interact. energy: -0.288 local terms energy: -335.010415 where: bonds (distance) C4'-P energy: -58.205 bonds (distance) P-C4' energy: -71.504 flat angles C4'-P-C4' energy: -66.535 flat angles P-C4'-P energy: -52.878 tors. eta vs tors. theta energy: -85.889 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: 4, replica: 8 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -952.162770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.162770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.162770 (E_RNA) where: Base-Base interactions energy: -645.360 where: short stacking energy: -263.443 Base-Backbone interact. energy: -0.197 local terms energy: -306.605604 where: bonds (distance) C4'-P energy: -58.390 bonds (distance) P-C4' energy: -69.232 flat angles C4'-P-C4' energy: -67.902 flat angles P-C4'-P energy: -35.108 tors. eta vs tors. theta energy: -75.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -976.142285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.142285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.142285 (E_RNA) where: Base-Base interactions energy: -663.811 where: short stacking energy: -275.443 Base-Backbone interact. energy: -1.949 local terms energy: -310.381766 where: bonds (distance) C4'-P energy: -58.360 bonds (distance) P-C4' energy: -53.589 flat angles C4'-P-C4' energy: -67.449 flat angles P-C4'-P energy: -44.954 tors. eta vs tors. theta energy: -86.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -908.630896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.630896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.630896 (E_RNA) where: Base-Base interactions energy: -616.575 where: short stacking energy: -279.881 Base-Backbone interact. energy: 1.353 local terms energy: -293.409423 where: bonds (distance) C4'-P energy: -45.916 bonds (distance) P-C4' energy: -51.119 flat angles C4'-P-C4' energy: -75.082 flat angles P-C4'-P energy: -44.942 tors. eta vs tors. theta energy: -76.350 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: 7 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -717.660523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.660523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.660523 (E_RNA) where: Base-Base interactions energy: -444.703 where: short stacking energy: -201.791 Base-Backbone interact. energy: -1.153 local terms energy: -271.804450 where: bonds (distance) C4'-P energy: -55.461 bonds (distance) P-C4' energy: -61.706 flat angles C4'-P-C4' energy: -60.951 flat angles P-C4'-P energy: -33.277 tors. eta vs tors. theta energy: -60.409 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: 10 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -587.094460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.094460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.094460 (E_RNA) where: Base-Base interactions energy: -360.852 where: short stacking energy: -164.835 Base-Backbone interact. energy: -1.644 local terms energy: -224.598748 where: bonds (distance) C4'-P energy: -51.307 bonds (distance) P-C4' energy: -62.165 flat angles C4'-P-C4' energy: -54.969 flat angles P-C4'-P energy: -26.159 tors. eta vs tors. theta energy: -29.999 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: 9 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -539.910118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.910118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.910118 (E_RNA) where: Base-Base interactions energy: -305.970 where: short stacking energy: -153.897 Base-Backbone interact. energy: -0.685 local terms energy: -233.254887 where: bonds (distance) C4'-P energy: -54.318 bonds (distance) P-C4' energy: -54.675 flat angles C4'-P-C4' energy: -54.637 flat angles P-C4'-P energy: -37.929 tors. eta vs tors. theta energy: -31.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -492.639927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.639927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.639927 (E_RNA) where: Base-Base interactions energy: -291.511 where: short stacking energy: -139.558 Base-Backbone interact. energy: 11.073 local terms energy: -212.201434 where: bonds (distance) C4'-P energy: -62.443 bonds (distance) P-C4' energy: -45.812 flat angles C4'-P-C4' energy: -53.504 flat angles P-C4'-P energy: -21.909 tors. eta vs tors. theta energy: -28.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -1185.101658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.101658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.101658 (E_RNA) where: Base-Base interactions energy: -813.548 where: short stacking energy: -358.289 Base-Backbone interact. energy: 1.138 local terms energy: -372.691498 where: bonds (distance) C4'-P energy: -68.094 bonds (distance) P-C4' energy: -66.649 flat angles C4'-P-C4' energy: -79.858 flat angles P-C4'-P energy: -55.189 tors. eta vs tors. theta energy: -102.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -1087.516567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.516567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.516567 (E_RNA) where: Base-Base interactions energy: -744.473 where: short stacking energy: -321.657 Base-Backbone interact. energy: -0.835 local terms energy: -342.207775 where: bonds (distance) C4'-P energy: -72.218 bonds (distance) P-C4' energy: -51.664 flat angles C4'-P-C4' energy: -72.266 flat angles P-C4'-P energy: -50.236 tors. eta vs tors. theta energy: -95.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -1048.205597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.205597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.205597 (E_RNA) where: Base-Base interactions energy: -719.070 where: short stacking energy: -301.585 Base-Backbone interact. energy: -3.950 local terms energy: -325.186134 where: bonds (distance) C4'-P energy: -62.176 bonds (distance) P-C4' energy: -68.658 flat angles C4'-P-C4' energy: -68.934 flat angles P-C4'-P energy: -39.143 tors. eta vs tors. theta energy: -86.275 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: 8 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -977.684642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.684642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.684642 (E_RNA) where: Base-Base interactions energy: -677.059 where: short stacking energy: -284.116 Base-Backbone interact. energy: -1.240 local terms energy: -299.385681 where: bonds (distance) C4'-P energy: -50.795 bonds (distance) P-C4' energy: -54.299 flat angles C4'-P-C4' energy: -69.239 flat angles P-C4'-P energy: -43.849 tors. eta vs tors. theta energy: -81.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -978.251457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.251457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.251457 (E_RNA) where: Base-Base interactions energy: -671.803 where: short stacking energy: -290.496 Base-Backbone interact. energy: -1.503 local terms energy: -304.945229 where: bonds (distance) C4'-P energy: -58.987 bonds (distance) P-C4' energy: -50.930 flat angles C4'-P-C4' energy: -66.392 flat angles P-C4'-P energy: -41.463 tors. eta vs tors. theta energy: -87.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -896.669361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.669361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.669361 (E_RNA) where: Base-Base interactions energy: -607.858 where: short stacking energy: -253.098 Base-Backbone interact. energy: -1.529 local terms energy: -287.283232 where: bonds (distance) C4'-P energy: -51.031 bonds (distance) P-C4' energy: -59.773 flat angles C4'-P-C4' energy: -64.256 flat angles P-C4'-P energy: -40.675 tors. eta vs tors. theta energy: -71.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -747.640344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.640344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.640344 (E_RNA) where: Base-Base interactions energy: -500.797 where: short stacking energy: -210.757 Base-Backbone interact. energy: -1.296 local terms energy: -245.546709 where: bonds (distance) C4'-P energy: -57.134 bonds (distance) P-C4' energy: -45.147 flat angles C4'-P-C4' energy: -57.824 flat angles P-C4'-P energy: -39.708 tors. eta vs tors. theta energy: -45.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -623.091703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.091703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.091703 (E_RNA) where: Base-Base interactions energy: -396.293 where: short stacking energy: -177.322 Base-Backbone interact. energy: 0.911 local terms energy: -227.709374 where: bonds (distance) C4'-P energy: -49.732 bonds (distance) P-C4' energy: -63.471 flat angles C4'-P-C4' energy: -49.406 flat angles P-C4'-P energy: -37.676 tors. eta vs tors. theta energy: -27.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -514.813054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.813054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.813054 (E_RNA) where: Base-Base interactions energy: -296.300 where: short stacking energy: -148.505 Base-Backbone interact. energy: -1.133 local terms energy: -217.380086 where: bonds (distance) C4'-P energy: -50.029 bonds (distance) P-C4' energy: -51.414 flat angles C4'-P-C4' energy: -51.513 flat angles P-C4'-P energy: -28.262 tors. eta vs tors. theta energy: -36.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -527.473395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.473395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.473395 (E_RNA) where: Base-Base interactions energy: -317.613 where: short stacking energy: -163.484 Base-Backbone interact. energy: -0.703 local terms energy: -209.157499 where: bonds (distance) C4'-P energy: -46.433 bonds (distance) P-C4' energy: -54.495 flat angles C4'-P-C4' energy: -62.010 flat angles P-C4'-P energy: -29.099 tors. eta vs tors. theta energy: -17.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -1184.583319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.583319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.583319 (E_RNA) where: Base-Base interactions energy: -815.241 where: short stacking energy: -363.417 Base-Backbone interact. energy: -0.892 local terms energy: -368.450469 where: bonds (distance) C4'-P energy: -67.924 bonds (distance) P-C4' energy: -59.741 flat angles C4'-P-C4' energy: -74.749 flat angles P-C4'-P energy: -50.493 tors. eta vs tors. theta energy: -115.543 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: 2, replica: 3 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -1083.655303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.655303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.655303 (E_RNA) where: Base-Base interactions energy: -734.527 where: short stacking energy: -331.013 Base-Backbone interact. energy: -0.562 local terms energy: -348.566667 where: bonds (distance) C4'-P energy: -64.420 bonds (distance) P-C4' energy: -63.890 flat angles C4'-P-C4' energy: -74.382 flat angles P-C4'-P energy: -48.079 tors. eta vs tors. theta energy: -97.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -1020.239658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.239658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.239658 (E_RNA) where: Base-Base interactions energy: -695.660 where: short stacking energy: -301.566 Base-Backbone interact. energy: -1.697 local terms energy: -322.882326 where: bonds (distance) C4'-P energy: -56.596 bonds (distance) P-C4' energy: -62.498 flat angles C4'-P-C4' energy: -70.385 flat angles P-C4'-P energy: -47.098 tors. eta vs tors. theta energy: -86.305 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: 8 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -1000.964513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.964513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.964513 (E_RNA) where: Base-Base interactions energy: -686.090 where: short stacking energy: -294.765 Base-Backbone interact. energy: 2.843 local terms energy: -317.717450 where: bonds (distance) C4'-P energy: -65.103 bonds (distance) P-C4' energy: -62.473 flat angles C4'-P-C4' energy: -62.027 flat angles P-C4'-P energy: -44.988 tors. eta vs tors. theta energy: -83.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -985.358517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.358517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.358517 (E_RNA) where: Base-Base interactions energy: -684.325 where: short stacking energy: -285.306 Base-Backbone interact. energy: -0.350 local terms energy: -300.683079 where: bonds (distance) C4'-P energy: -59.548 bonds (distance) P-C4' energy: -57.121 flat angles C4'-P-C4' energy: -58.929 flat angles P-C4'-P energy: -38.529 tors. eta vs tors. theta energy: -86.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -873.754531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.754531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.754531 (E_RNA) where: Base-Base interactions energy: -580.511 where: short stacking energy: -242.059 Base-Backbone interact. energy: 0.539 local terms energy: -293.782990 where: bonds (distance) C4'-P energy: -47.559 bonds (distance) P-C4' energy: -65.424 flat angles C4'-P-C4' energy: -69.808 flat angles P-C4'-P energy: -46.245 tors. eta vs tors. theta energy: -64.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -762.242399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.242399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.242399 (E_RNA) where: Base-Base interactions energy: -504.416 where: short stacking energy: -209.503 Base-Backbone interact. energy: -1.092 local terms energy: -256.734856 where: bonds (distance) C4'-P energy: -57.507 bonds (distance) P-C4' energy: -53.447 flat angles C4'-P-C4' energy: -61.414 flat angles P-C4'-P energy: -36.075 tors. eta vs tors. theta energy: -48.292 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: 8, replica: 10 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -670.546346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.546346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.546346 (E_RNA) where: Base-Base interactions energy: -406.011 where: short stacking energy: -193.636 Base-Backbone interact. energy: -2.414 local terms energy: -262.121518 where: bonds (distance) C4'-P energy: -52.130 bonds (distance) P-C4' energy: -69.396 flat angles C4'-P-C4' energy: -56.549 flat angles P-C4'-P energy: -32.374 tors. eta vs tors. theta energy: -51.672 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: 6 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -531.134642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.134642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.134642 (E_RNA) where: Base-Base interactions energy: -303.770 where: short stacking energy: -152.633 Base-Backbone interact. energy: -1.790 local terms energy: -225.575197 where: bonds (distance) C4'-P energy: -65.506 bonds (distance) P-C4' energy: -50.485 flat angles C4'-P-C4' energy: -61.376 flat angles P-C4'-P energy: -28.523 tors. eta vs tors. theta energy: -19.685 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: 9 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -478.908138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.908138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.908138 (E_RNA) where: Base-Base interactions energy: -281.489 where: short stacking energy: -142.964 Base-Backbone interact. energy: 0.705 local terms energy: -198.124558 where: bonds (distance) C4'-P energy: -47.623 bonds (distance) P-C4' energy: -54.038 flat angles C4'-P-C4' energy: -50.521 flat angles P-C4'-P energy: -27.228 tors. eta vs tors. theta energy: -18.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -1198.590385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.590385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.590385 (E_RNA) where: Base-Base interactions energy: -826.580 where: short stacking energy: -359.195 Base-Backbone interact. energy: -0.883 local terms energy: -371.127415 where: bonds (distance) C4'-P energy: -64.981 bonds (distance) P-C4' energy: -61.688 flat angles C4'-P-C4' energy: -75.882 flat angles P-C4'-P energy: -57.221 tors. eta vs tors. theta energy: -111.355 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: 3 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -1080.009413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.009413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.009413 (E_RNA) where: Base-Base interactions energy: -727.200 where: short stacking energy: -327.317 Base-Backbone interact. energy: -1.203 local terms energy: -351.606563 where: bonds (distance) C4'-P energy: -65.908 bonds (distance) P-C4' energy: -64.290 flat angles C4'-P-C4' energy: -72.580 flat angles P-C4'-P energy: -49.098 tors. eta vs tors. theta energy: -99.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -1034.270423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.270423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.270423 (E_RNA) where: Base-Base interactions energy: -711.023 where: short stacking energy: -322.903 Base-Backbone interact. energy: -1.980 local terms energy: -321.267258 where: bonds (distance) C4'-P energy: -52.917 bonds (distance) P-C4' energy: -51.455 flat angles C4'-P-C4' energy: -68.919 flat angles P-C4'-P energy: -54.106 tors. eta vs tors. theta energy: -93.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -1018.073704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.073704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.073704 (E_RNA) where: Base-Base interactions energy: -723.461 where: short stacking energy: -313.074 Base-Backbone interact. energy: -1.480 local terms energy: -293.132430 where: bonds (distance) C4'-P energy: -49.179 bonds (distance) P-C4' energy: -55.507 flat angles C4'-P-C4' energy: -61.079 flat angles P-C4'-P energy: -36.239 tors. eta vs tors. theta energy: -91.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -961.247893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.247893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.247893 (E_RNA) where: Base-Base interactions energy: -642.563 where: short stacking energy: -277.286 Base-Backbone interact. energy: -0.943 local terms energy: -317.741081 where: bonds (distance) C4'-P energy: -56.498 bonds (distance) P-C4' energy: -67.840 flat angles C4'-P-C4' energy: -63.055 flat angles P-C4'-P energy: -47.568 tors. eta vs tors. theta energy: -82.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -887.665623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.665623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.665623 (E_RNA) where: Base-Base interactions energy: -600.619 where: short stacking energy: -258.148 Base-Backbone interact. energy: 0.813 local terms energy: -287.859873 where: bonds (distance) C4'-P energy: -68.241 bonds (distance) P-C4' energy: -55.982 flat angles C4'-P-C4' energy: -63.044 flat angles P-C4'-P energy: -31.033 tors. eta vs tors. theta energy: -69.559 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: 7, replica: 10 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -742.375081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.375081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.375081 (E_RNA) where: Base-Base interactions energy: -479.630 where: short stacking energy: -226.620 Base-Backbone interact. energy: 1.941 local terms energy: -264.685664 where: bonds (distance) C4'-P energy: -51.019 bonds (distance) P-C4' energy: -65.911 flat angles C4'-P-C4' energy: -60.373 flat angles P-C4'-P energy: -34.463 tors. eta vs tors. theta energy: -52.920 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: 302 Temperature: 1.250000 Total energy: -715.698009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.698009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.698009 (E_RNA) where: Base-Base interactions energy: -456.371 where: short stacking energy: -209.727 Base-Backbone interact. energy: 6.397 local terms energy: -265.723486 where: bonds (distance) C4'-P energy: -59.222 bonds (distance) P-C4' energy: -59.875 flat angles C4'-P-C4' energy: -56.950 flat angles P-C4'-P energy: -41.154 tors. eta vs tors. theta energy: -48.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -516.579023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.579023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.579023 (E_RNA) where: Base-Base interactions energy: -291.245 where: short stacking energy: -154.102 Base-Backbone interact. energy: -1.266 local terms energy: -224.068272 where: bonds (distance) C4'-P energy: -48.775 bonds (distance) P-C4' energy: -61.793 flat angles C4'-P-C4' energy: -49.331 flat angles P-C4'-P energy: -40.452 tors. eta vs tors. theta energy: -23.717 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: 10, replica: 6 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -505.822924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.822924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.822924 (E_RNA) where: Base-Base interactions energy: -282.661 where: short stacking energy: -145.362 Base-Backbone interact. energy: 0.084 local terms energy: -223.246006 where: bonds (distance) C4'-P energy: -55.056 bonds (distance) P-C4' energy: -55.603 flat angles C4'-P-C4' energy: -44.532 flat angles P-C4'-P energy: -39.231 tors. eta vs tors. theta energy: -28.824 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: 2 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -1192.974392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.974392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.974392 (E_RNA) where: Base-Base interactions energy: -827.622 where: short stacking energy: -360.376 Base-Backbone interact. energy: 0.924 local terms energy: -366.276529 where: bonds (distance) C4'-P energy: -65.432 bonds (distance) P-C4' energy: -66.390 flat angles C4'-P-C4' energy: -74.599 flat angles P-C4'-P energy: -48.735 tors. eta vs tors. theta energy: -111.120 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: 3 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -1088.322410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.322410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.322410 (E_RNA) where: Base-Base interactions energy: -750.764 where: short stacking energy: -319.387 Base-Backbone interact. energy: -0.217 local terms energy: -337.340748 where: bonds (distance) C4'-P energy: -52.165 bonds (distance) P-C4' energy: -62.211 flat angles C4'-P-C4' energy: -69.740 flat angles P-C4'-P energy: -56.305 tors. eta vs tors. theta energy: -96.919 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: 5 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -1031.947334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.947334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.947334 (E_RNA) where: Base-Base interactions energy: -704.453 where: short stacking energy: -315.740 Base-Backbone interact. energy: 0.826 local terms energy: -328.320547 where: bonds (distance) C4'-P energy: -56.860 bonds (distance) P-C4' energy: -62.919 flat angles C4'-P-C4' energy: -74.498 flat angles P-C4'-P energy: -47.257 tors. eta vs tors. theta energy: -86.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -1003.601404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.601404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.601404 (E_RNA) where: Base-Base interactions energy: -700.945 where: short stacking energy: -301.941 Base-Backbone interact. energy: -0.538 local terms energy: -302.118315 where: bonds (distance) C4'-P energy: -50.413 bonds (distance) P-C4' energy: -55.273 flat angles C4'-P-C4' energy: -67.620 flat angles P-C4'-P energy: -42.035 tors. eta vs tors. theta energy: -86.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -963.301527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.301527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.301527 (E_RNA) where: Base-Base interactions energy: -663.865 where: short stacking energy: -282.385 Base-Backbone interact. energy: -2.271 local terms energy: -297.165021 where: bonds (distance) C4'-P energy: -56.075 bonds (distance) P-C4' energy: -57.772 flat angles C4'-P-C4' energy: -57.105 flat angles P-C4'-P energy: -39.402 tors. eta vs tors. theta energy: -86.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -872.609310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.609310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.609310 (E_RNA) where: Base-Base interactions energy: -592.839 where: short stacking energy: -266.717 Base-Backbone interact. energy: 1.713 local terms energy: -281.483356 where: bonds (distance) C4'-P energy: -55.620 bonds (distance) P-C4' energy: -65.969 flat angles C4'-P-C4' energy: -63.954 flat angles P-C4'-P energy: -29.114 tors. eta vs tors. theta energy: -66.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -739.869513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.869513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.869513 (E_RNA) where: Base-Base interactions energy: -497.587 where: short stacking energy: -229.874 Base-Backbone interact. energy: -1.849 local terms energy: -240.433404 where: bonds (distance) C4'-P energy: -39.590 bonds (distance) P-C4' energy: -50.852 flat angles C4'-P-C4' energy: -51.762 flat angles P-C4'-P energy: -33.227 tors. eta vs tors. theta energy: -65.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -700.214341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.214341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.214341 (E_RNA) where: Base-Base interactions energy: -429.679 where: short stacking energy: -184.813 Base-Backbone interact. energy: -0.532 local terms energy: -270.002413 where: bonds (distance) C4'-P energy: -61.630 bonds (distance) P-C4' energy: -65.479 flat angles C4'-P-C4' energy: -51.591 flat angles P-C4'-P energy: -39.475 tors. eta vs tors. theta energy: -51.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -543.228580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.228580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.228580 (E_RNA) where: Base-Base interactions energy: -326.700 where: short stacking energy: -154.111 Base-Backbone interact. energy: -0.739 local terms energy: -215.788892 where: bonds (distance) C4'-P energy: -48.406 bonds (distance) P-C4' energy: -51.336 flat angles C4'-P-C4' energy: -55.498 flat angles P-C4'-P energy: -32.951 tors. eta vs tors. theta energy: -27.599 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: 6 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -506.890990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.890990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.890990 (E_RNA) where: Base-Base interactions energy: -301.950 where: short stacking energy: -142.834 Base-Backbone interact. energy: -0.557 local terms energy: -204.383572 where: bonds (distance) C4'-P energy: -47.521 bonds (distance) P-C4' energy: -45.822 flat angles C4'-P-C4' energy: -48.565 flat angles P-C4'-P energy: -35.793 tors. eta vs tors. theta energy: -26.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -1196.760294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.760294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.760294 (E_RNA) where: Base-Base interactions energy: -817.033 where: short stacking energy: -355.130 Base-Backbone interact. energy: 0.581 local terms energy: -380.308825 where: bonds (distance) C4'-P energy: -67.999 bonds (distance) P-C4' energy: -70.858 flat angles C4'-P-C4' energy: -74.977 flat angles P-C4'-P energy: -56.220 tors. eta vs tors. theta energy: -110.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -1103.988856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.988856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.988856 (E_RNA) where: Base-Base interactions energy: -751.365 where: short stacking energy: -315.020 Base-Backbone interact. energy: -0.724 local terms energy: -351.899861 where: bonds (distance) C4'-P energy: -69.624 bonds (distance) P-C4' energy: -66.528 flat angles C4'-P-C4' energy: -70.920 flat angles P-C4'-P energy: -50.160 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: 3, replica: 5 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -1015.391552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.391552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.391552 (E_RNA) where: Base-Base interactions energy: -691.814 where: short stacking energy: -300.554 Base-Backbone interact. energy: -1.051 local terms energy: -322.526758 where: bonds (distance) C4'-P energy: -65.246 bonds (distance) P-C4' energy: -52.770 flat angles C4'-P-C4' energy: -64.879 flat angles P-C4'-P energy: -47.624 tors. eta vs tors. theta energy: -92.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -974.908407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.908407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.908407 (E_RNA) where: Base-Base interactions energy: -683.924 where: short stacking energy: -258.303 Base-Backbone interact. energy: 0.066 local terms energy: -291.050323 where: bonds (distance) C4'-P energy: -55.482 bonds (distance) P-C4' energy: -57.208 flat angles C4'-P-C4' energy: -65.513 flat angles P-C4'-P energy: -44.296 tors. eta vs tors. theta energy: -68.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -985.348697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.348697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.348697 (E_RNA) where: Base-Base interactions energy: -663.781 where: short stacking energy: -292.416 Base-Backbone interact. energy: -0.180 local terms energy: -321.388473 where: bonds (distance) C4'-P energy: -59.881 bonds (distance) P-C4' energy: -56.855 flat angles C4'-P-C4' energy: -67.852 flat angles P-C4'-P energy: -46.931 tors. eta vs tors. theta energy: -89.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -897.277832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.277832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.277832 (E_RNA) where: Base-Base interactions energy: -604.288 where: short stacking energy: -266.845 Base-Backbone interact. energy: -0.648 local terms energy: -292.341310 where: bonds (distance) C4'-P energy: -58.236 bonds (distance) P-C4' energy: -51.972 flat angles C4'-P-C4' energy: -63.748 flat angles P-C4'-P energy: -40.914 tors. eta vs tors. theta energy: -77.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -765.996277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.996277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.996277 (E_RNA) where: Base-Base interactions energy: -490.676 where: short stacking energy: -221.148 Base-Backbone interact. energy: -1.126 local terms energy: -274.194697 where: bonds (distance) C4'-P energy: -48.288 bonds (distance) P-C4' energy: -60.816 flat angles C4'-P-C4' energy: -61.457 flat angles P-C4'-P energy: -39.386 tors. eta vs tors. theta energy: -64.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -684.660325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.660325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.660325 (E_RNA) where: Base-Base interactions energy: -421.638 where: short stacking energy: -192.205 Base-Backbone interact. energy: -1.437 local terms energy: -261.585303 where: bonds (distance) C4'-P energy: -57.015 bonds (distance) P-C4' energy: -60.284 flat angles C4'-P-C4' energy: -60.415 flat angles P-C4'-P energy: -46.930 tors. eta vs tors. theta energy: -36.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -501.924537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.924537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.924537 (E_RNA) where: Base-Base interactions energy: -295.699 where: short stacking energy: -147.775 Base-Backbone interact. energy: -0.695 local terms energy: -205.530182 where: bonds (distance) C4'-P energy: -47.942 bonds (distance) P-C4' energy: -53.132 flat angles C4'-P-C4' energy: -44.858 flat angles P-C4'-P energy: -40.111 tors. eta vs tors. theta energy: -19.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -491.004209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.004209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.004209 (E_RNA) where: Base-Base interactions energy: -296.533 where: short stacking energy: -142.428 Base-Backbone interact. energy: -0.584 local terms energy: -193.887412 where: bonds (distance) C4'-P energy: -44.352 bonds (distance) P-C4' energy: -48.223 flat angles C4'-P-C4' energy: -52.556 flat angles P-C4'-P energy: -21.046 tors. eta vs tors. theta energy: -27.710 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: 2 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -1193.483257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.483257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.483257 (E_RNA) where: Base-Base interactions energy: -821.573 where: short stacking energy: -353.305 Base-Backbone interact. energy: -0.864 local terms energy: -371.046908 where: bonds (distance) C4'-P energy: -54.598 bonds (distance) P-C4' energy: -68.994 flat angles C4'-P-C4' energy: -74.625 flat angles P-C4'-P energy: -56.841 tors. eta vs tors. theta energy: -115.989 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: 3 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -1113.021339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.021339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.021339 (E_RNA) where: Base-Base interactions energy: -776.318 where: short stacking energy: -326.338 Base-Backbone interact. energy: -2.047 local terms energy: -334.656234 where: bonds (distance) C4'-P energy: -57.724 bonds (distance) P-C4' energy: -54.439 flat angles C4'-P-C4' energy: -75.027 flat angles P-C4'-P energy: -45.898 tors. eta vs tors. theta energy: -101.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -1033.620129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.620129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.620129 (E_RNA) where: Base-Base interactions energy: -720.551 where: short stacking energy: -300.077 Base-Backbone interact. energy: -1.024 local terms energy: -312.045082 where: bonds (distance) C4'-P energy: -54.552 bonds (distance) P-C4' energy: -48.443 flat angles C4'-P-C4' energy: -75.177 flat angles P-C4'-P energy: -46.140 tors. eta vs tors. theta energy: -87.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -1021.179545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.179545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.179545 (E_RNA) where: Base-Base interactions energy: -697.436 where: short stacking energy: -303.943 Base-Backbone interact. energy: 0.665 local terms energy: -324.408862 where: bonds (distance) C4'-P energy: -56.760 bonds (distance) P-C4' energy: -65.715 flat angles C4'-P-C4' energy: -72.283 flat angles P-C4'-P energy: -41.343 tors. eta vs tors. theta energy: -88.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -960.222796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.222796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.222796 (E_RNA) where: Base-Base interactions energy: -662.729 where: short stacking energy: -273.840 Base-Backbone interact. energy: -1.613 local terms energy: -295.880493 where: bonds (distance) C4'-P energy: -49.745 bonds (distance) P-C4' energy: -59.308 flat angles C4'-P-C4' energy: -66.204 flat angles P-C4'-P energy: -43.616 tors. eta vs tors. theta energy: -77.007 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: 4 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -854.684885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.684885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.684885 (E_RNA) where: Base-Base interactions energy: -569.413 where: short stacking energy: -253.713 Base-Backbone interact. energy: -1.040 local terms energy: -284.231401 where: bonds (distance) C4'-P energy: -60.158 bonds (distance) P-C4' energy: -57.079 flat angles C4'-P-C4' energy: -66.208 flat angles P-C4'-P energy: -29.550 tors. eta vs tors. theta energy: -71.238 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: 7, replica: 10 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -766.028848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.028848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.028848 (E_RNA) where: Base-Base interactions energy: -506.088 where: short stacking energy: -236.448 Base-Backbone interact. energy: -1.258 local terms energy: -258.682712 where: bonds (distance) C4'-P energy: -44.541 bonds (distance) P-C4' energy: -63.615 flat angles C4'-P-C4' energy: -62.179 flat angles P-C4'-P energy: -28.297 tors. eta vs tors. theta energy: -60.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -656.506211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.506211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.506211 (E_RNA) where: Base-Base interactions energy: -413.664 where: short stacking energy: -184.984 Base-Backbone interact. energy: 1.574 local terms energy: -244.416257 where: bonds (distance) C4'-P energy: -48.765 bonds (distance) P-C4' energy: -61.612 flat angles C4'-P-C4' energy: -60.439 flat angles P-C4'-P energy: -32.769 tors. eta vs tors. theta energy: -40.831 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: 6 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -514.737765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.737765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.737765 (E_RNA) where: Base-Base interactions energy: -269.464 where: short stacking energy: -127.119 Base-Backbone interact. energy: -1.332 local terms energy: -243.941915 where: bonds (distance) C4'-P energy: -59.590 bonds (distance) P-C4' energy: -68.429 flat angles C4'-P-C4' energy: -56.255 flat angles P-C4'-P energy: -37.220 tors. eta vs tors. theta energy: -22.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -496.665577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.665577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.665577 (E_RNA) where: Base-Base interactions energy: -279.597 where: short stacking energy: -127.397 Base-Backbone interact. energy: -1.608 local terms energy: -215.460611 where: bonds (distance) C4'-P energy: -53.719 bonds (distance) P-C4' energy: -63.715 flat angles C4'-P-C4' energy: -63.570 flat angles P-C4'-P energy: -11.257 tors. eta vs tors. theta energy: -23.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -1203.762335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.762335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.762335 (E_RNA) where: Base-Base interactions energy: -831.429 where: short stacking energy: -353.966 Base-Backbone interact. energy: -1.359 local terms energy: -370.974072 where: bonds (distance) C4'-P energy: -60.250 bonds (distance) P-C4' energy: -69.935 flat angles C4'-P-C4' energy: -70.463 flat angles P-C4'-P energy: -51.491 tors. eta vs tors. theta energy: -118.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -1100.488937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.488937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.488937 (E_RNA) where: Base-Base interactions energy: -752.791 where: short stacking energy: -320.873 Base-Backbone interact. energy: 0.854 local terms energy: -348.552086 where: bonds (distance) C4'-P energy: -70.325 bonds (distance) P-C4' energy: -60.527 flat angles C4'-P-C4' energy: -72.486 flat angles P-C4'-P energy: -49.272 tors. eta vs tors. theta energy: -95.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -1047.994444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.994444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.994444 (E_RNA) where: Base-Base interactions energy: -723.665 where: short stacking energy: -316.630 Base-Backbone interact. energy: -3.179 local terms energy: -321.150700 where: bonds (distance) C4'-P energy: -54.922 bonds (distance) P-C4' energy: -65.191 flat angles C4'-P-C4' energy: -68.211 flat angles P-C4'-P energy: -46.606 tors. eta vs tors. theta energy: -86.221 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: 1 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -1003.538576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.538576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.538576 (E_RNA) where: Base-Base interactions energy: -701.863 where: short stacking energy: -300.693 Base-Backbone interact. energy: 0.623 local terms energy: -302.298266 where: bonds (distance) C4'-P energy: -61.079 bonds (distance) P-C4' energy: -47.729 flat angles C4'-P-C4' energy: -66.589 flat angles P-C4'-P energy: -47.685 tors. eta vs tors. theta energy: -79.216 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: 8 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -948.559364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.559364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.559364 (E_RNA) where: Base-Base interactions energy: -646.527 where: short stacking energy: -280.562 Base-Backbone interact. energy: -0.968 local terms energy: -301.063742 where: bonds (distance) C4'-P energy: -48.581 bonds (distance) P-C4' energy: -64.424 flat angles C4'-P-C4' energy: -64.740 flat angles P-C4'-P energy: -50.589 tors. eta vs tors. theta energy: -72.731 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: 306 Temperature: 1.150000 Total energy: -863.829627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.829627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.829627 (E_RNA) where: Base-Base interactions energy: -577.926 where: short stacking energy: -257.537 Base-Backbone interact. energy: 2.448 local terms energy: -288.351221 where: bonds (distance) C4'-P energy: -50.627 bonds (distance) P-C4' energy: -55.983 flat angles C4'-P-C4' energy: -63.149 flat angles P-C4'-P energy: -51.514 tors. eta vs tors. theta energy: -67.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -820.046589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.046589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.046589 (E_RNA) where: Base-Base interactions energy: -544.048 where: short stacking energy: -228.779 Base-Backbone interact. energy: -2.776 local terms energy: -273.222967 where: bonds (distance) C4'-P energy: -57.757 bonds (distance) P-C4' energy: -50.153 flat angles C4'-P-C4' energy: -65.066 flat angles P-C4'-P energy: -39.041 tors. eta vs tors. theta energy: -61.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -648.274434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.274434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.274434 (E_RNA) where: Base-Base interactions energy: -409.638 where: short stacking energy: -183.590 Base-Backbone interact. energy: 2.566 local terms energy: -241.202756 where: bonds (distance) C4'-P energy: -52.202 bonds (distance) P-C4' energy: -55.804 flat angles C4'-P-C4' energy: -63.407 flat angles P-C4'-P energy: -32.416 tors. eta vs tors. theta energy: -37.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -528.227849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.227849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.227849 (E_RNA) where: Base-Base interactions energy: -296.517 where: short stacking energy: -141.112 Base-Backbone interact. energy: -0.677 local terms energy: -231.033315 where: bonds (distance) C4'-P energy: -55.579 bonds (distance) P-C4' energy: -58.306 flat angles C4'-P-C4' energy: -46.162 flat angles P-C4'-P energy: -42.351 tors. eta vs tors. theta energy: -28.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -508.617189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.617189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.617189 (E_RNA) where: Base-Base interactions energy: -278.539 where: short stacking energy: -136.251 Base-Backbone interact. energy: -0.512 local terms energy: -229.566963 where: bonds (distance) C4'-P energy: -54.971 bonds (distance) P-C4' energy: -62.799 flat angles C4'-P-C4' energy: -40.288 flat angles P-C4'-P energy: -38.305 tors. eta vs tors. theta energy: -33.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -1193.591633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.591633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.591633 (E_RNA) where: Base-Base interactions energy: -821.830 where: short stacking energy: -362.206 Base-Backbone interact. energy: -0.380 local terms energy: -371.382584 where: bonds (distance) C4'-P energy: -62.674 bonds (distance) P-C4' energy: -61.833 flat angles C4'-P-C4' energy: -82.438 flat angles P-C4'-P energy: -51.953 tors. eta vs tors. theta energy: -112.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -1106.256279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.256279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.256279 (E_RNA) where: Base-Base interactions energy: -774.030 where: short stacking energy: -325.408 Base-Backbone interact. energy: 1.256 local terms energy: -333.481735 where: bonds (distance) C4'-P energy: -61.097 bonds (distance) P-C4' energy: -58.322 flat angles C4'-P-C4' energy: -70.047 flat angles P-C4'-P energy: -49.207 tors. eta vs tors. theta energy: -94.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -1044.799518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.799518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.799518 (E_RNA) where: Base-Base interactions energy: -728.800 where: short stacking energy: -314.826 Base-Backbone interact. energy: 0.430 local terms energy: -316.429925 where: bonds (distance) C4'-P energy: -61.043 bonds (distance) P-C4' energy: -52.417 flat angles C4'-P-C4' energy: -62.714 flat angles P-C4'-P energy: -50.106 tors. eta vs tors. theta energy: -90.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -981.468700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.468700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.468700 (E_RNA) where: Base-Base interactions energy: -665.727 where: short stacking energy: -282.256 Base-Backbone interact. energy: -0.996 local terms energy: -314.744984 where: bonds (distance) C4'-P energy: -58.080 bonds (distance) P-C4' energy: -58.835 flat angles C4'-P-C4' energy: -74.444 flat angles P-C4'-P energy: -40.183 tors. eta vs tors. theta energy: -83.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -958.734177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.734177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.734177 (E_RNA) where: Base-Base interactions energy: -655.051 where: short stacking energy: -260.023 Base-Backbone interact. energy: -0.793 local terms energy: -302.889954 where: bonds (distance) C4'-P energy: -44.250 bonds (distance) P-C4' energy: -67.947 flat angles C4'-P-C4' energy: -69.175 flat angles P-C4'-P energy: -44.591 tors. eta vs tors. theta energy: -76.927 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: 6, replica: 10 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -881.719174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.719174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.719174 (E_RNA) where: Base-Base interactions energy: -571.390 where: short stacking energy: -258.241 Base-Backbone interact. energy: -0.772 local terms energy: -309.557089 where: bonds (distance) C4'-P energy: -62.184 bonds (distance) P-C4' energy: -69.877 flat angles C4'-P-C4' energy: -70.329 flat angles P-C4'-P energy: -37.889 tors. eta vs tors. theta energy: -69.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -818.068973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.068973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.068973 (E_RNA) where: Base-Base interactions energy: -542.259 where: short stacking energy: -224.959 Base-Backbone interact. energy: -0.824 local terms energy: -274.985992 where: bonds (distance) C4'-P energy: -52.546 bonds (distance) P-C4' energy: -56.939 flat angles C4'-P-C4' energy: -63.163 flat angles P-C4'-P energy: -40.761 tors. eta vs tors. theta energy: -61.576 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: 7 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -655.670372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.670372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.670372 (E_RNA) where: Base-Base interactions energy: -406.414 where: short stacking energy: -189.058 Base-Backbone interact. energy: 3.540 local terms energy: -252.795906 where: bonds (distance) C4'-P energy: -62.766 bonds (distance) P-C4' energy: -55.529 flat angles C4'-P-C4' energy: -55.847 flat angles P-C4'-P energy: -35.685 tors. eta vs tors. theta energy: -42.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -537.629649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.629649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.629649 (E_RNA) where: Base-Base interactions energy: -310.415 where: short stacking energy: -162.149 Base-Backbone interact. energy: -0.747 local terms energy: -226.467801 where: bonds (distance) C4'-P energy: -46.904 bonds (distance) P-C4' energy: -59.475 flat angles C4'-P-C4' energy: -53.550 flat angles P-C4'-P energy: -36.118 tors. eta vs tors. theta energy: -30.420 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: 9 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -490.756265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.756265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.756265 (E_RNA) where: Base-Base interactions energy: -288.959 where: short stacking energy: -134.576 Base-Backbone interact. energy: -1.205 local terms energy: -200.592486 where: bonds (distance) C4'-P energy: -58.845 bonds (distance) P-C4' energy: -45.217 flat angles C4'-P-C4' energy: -50.624 flat angles P-C4'-P energy: -29.943 tors. eta vs tors. theta energy: -15.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -1193.175639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.175639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.175639 (E_RNA) where: Base-Base interactions energy: -822.366 where: short stacking energy: -354.970 Base-Backbone interact. energy: -0.834 local terms energy: -369.976396 where: bonds (distance) C4'-P energy: -60.973 bonds (distance) P-C4' energy: -69.047 flat angles C4'-P-C4' energy: -76.415 flat angles P-C4'-P energy: -53.025 tors. eta vs tors. theta energy: -110.517 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: 2, replica: 3 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -1086.088308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.088308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.088308 (E_RNA) where: Base-Base interactions energy: -773.032 where: short stacking energy: -323.095 Base-Backbone interact. energy: -0.960 local terms energy: -312.096280 where: bonds (distance) C4'-P energy: -62.508 bonds (distance) P-C4' energy: -51.559 flat angles C4'-P-C4' energy: -64.096 flat angles P-C4'-P energy: -45.281 tors. eta vs tors. theta energy: -88.652 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: 5 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -1046.090708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.090708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.090708 (E_RNA) where: Base-Base interactions energy: -714.003 where: short stacking energy: -305.423 Base-Backbone interact. energy: -1.005 local terms energy: -331.082349 where: bonds (distance) C4'-P energy: -58.464 bonds (distance) P-C4' energy: -68.979 flat angles C4'-P-C4' energy: -65.502 flat angles P-C4'-P energy: -45.337 tors. eta vs tors. theta energy: -92.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -992.779183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.779183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.779183 (E_RNA) where: Base-Base interactions energy: -694.211 where: short stacking energy: -285.106 Base-Backbone interact. energy: -1.075 local terms energy: -297.493612 where: bonds (distance) C4'-P energy: -63.063 bonds (distance) P-C4' energy: -50.692 flat angles C4'-P-C4' energy: -67.864 flat angles P-C4'-P energy: -37.344 tors. eta vs tors. theta energy: -78.531 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: 1 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -983.444947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.444947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.444947 (E_RNA) where: Base-Base interactions energy: -668.331 where: short stacking energy: -275.274 Base-Backbone interact. energy: -0.823 local terms energy: -314.291608 where: bonds (distance) C4'-P energy: -51.337 bonds (distance) P-C4' energy: -60.108 flat angles C4'-P-C4' energy: -76.680 flat angles P-C4'-P energy: -43.001 tors. eta vs tors. theta energy: -83.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -810.030377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.030377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.030377 (E_RNA) where: Base-Base interactions energy: -546.826 where: short stacking energy: -225.018 Base-Backbone interact. energy: -0.496 local terms energy: -262.707623 where: bonds (distance) C4'-P energy: -51.496 bonds (distance) P-C4' energy: -54.152 flat angles C4'-P-C4' energy: -57.484 flat angles P-C4'-P energy: -40.350 tors. eta vs tors. theta energy: -59.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -866.096986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.096986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.096986 (E_RNA) where: Base-Base interactions energy: -574.528 where: short stacking energy: -245.978 Base-Backbone interact. energy: -0.711 local terms energy: -290.858722 where: bonds (distance) C4'-P energy: -51.651 bonds (distance) P-C4' energy: -52.538 flat angles C4'-P-C4' energy: -67.931 flat angles P-C4'-P energy: -45.907 tors. eta vs tors. theta energy: -72.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -660.225528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.225528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.225528 (E_RNA) where: Base-Base interactions energy: -414.155 where: short stacking energy: -179.790 Base-Backbone interact. energy: -0.831 local terms energy: -245.239256 where: bonds (distance) C4'-P energy: -57.928 bonds (distance) P-C4' energy: -49.546 flat angles C4'-P-C4' energy: -55.192 flat angles P-C4'-P energy: -42.481 tors. eta vs tors. theta energy: -40.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -555.771192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.771192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.771192 (E_RNA) where: Base-Base interactions energy: -327.995 where: short stacking energy: -175.951 Base-Backbone interact. energy: 1.307 local terms energy: -229.082688 where: bonds (distance) C4'-P energy: -59.307 bonds (distance) P-C4' energy: -54.721 flat angles C4'-P-C4' energy: -56.738 flat angles P-C4'-P energy: -26.732 tors. eta vs tors. theta energy: -31.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -465.043712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.043712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.043712 (E_RNA) where: Base-Base interactions energy: -264.498 where: short stacking energy: -129.583 Base-Backbone interact. energy: -1.761 local terms energy: -198.785197 where: bonds (distance) C4'-P energy: -44.414 bonds (distance) P-C4' energy: -53.516 flat angles C4'-P-C4' energy: -52.983 flat angles P-C4'-P energy: -35.579 tors. eta vs tors. theta energy: -12.293 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: 2 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -1183.495521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.495521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.495521 (E_RNA) where: Base-Base interactions energy: -817.393 where: short stacking energy: -364.194 Base-Backbone interact. energy: -0.425 local terms energy: -365.677341 where: bonds (distance) C4'-P energy: -60.380 bonds (distance) P-C4' energy: -64.455 flat angles C4'-P-C4' energy: -75.646 flat angles P-C4'-P energy: -54.269 tors. eta vs tors. theta energy: -110.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -1109.789414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.789414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.789414 (E_RNA) where: Base-Base interactions energy: -781.819 where: short stacking energy: -326.670 Base-Backbone interact. energy: 2.396 local terms energy: -330.366255 where: bonds (distance) C4'-P energy: -64.699 bonds (distance) P-C4' energy: -59.747 flat angles C4'-P-C4' energy: -64.333 flat angles P-C4'-P energy: -46.677 tors. eta vs tors. theta energy: -94.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -1047.957953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.957953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.957953 (E_RNA) where: Base-Base interactions energy: -718.015 where: short stacking energy: -324.326 Base-Backbone interact. energy: -1.485 local terms energy: -328.458055 where: bonds (distance) C4'-P energy: -55.192 bonds (distance) P-C4' energy: -59.397 flat angles C4'-P-C4' energy: -71.522 flat angles P-C4'-P energy: -48.627 tors. eta vs tors. theta energy: -93.720 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: 8 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -984.026297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.026297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.026297 (E_RNA) where: Base-Base interactions energy: -670.222 where: short stacking energy: -294.433 Base-Backbone interact. energy: -1.987 local terms energy: -311.817391 where: bonds (distance) C4'-P energy: -57.601 bonds (distance) P-C4' energy: -59.024 flat angles C4'-P-C4' energy: -73.926 flat angles P-C4'-P energy: -43.933 tors. eta vs tors. theta energy: -77.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -941.446140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.446140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.446140 (E_RNA) where: Base-Base interactions energy: -623.533 where: short stacking energy: -278.211 Base-Backbone interact. energy: -1.289 local terms energy: -316.623500 where: bonds (distance) C4'-P energy: -61.274 bonds (distance) P-C4' energy: -54.470 flat angles C4'-P-C4' energy: -64.622 flat angles P-C4'-P energy: -46.847 tors. eta vs tors. theta energy: -89.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -848.994609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.994609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.994609 (E_RNA) where: Base-Base interactions energy: -572.385 where: short stacking energy: -255.715 Base-Backbone interact. energy: -1.423 local terms energy: -275.186954 where: bonds (distance) C4'-P energy: -50.547 bonds (distance) P-C4' energy: -56.256 flat angles C4'-P-C4' energy: -57.929 flat angles P-C4'-P energy: -40.622 tors. eta vs tors. theta energy: -69.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -824.365834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.365834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.365834 (E_RNA) where: Base-Base interactions energy: -556.757 where: short stacking energy: -240.579 Base-Backbone interact. energy: -2.041 local terms energy: -265.568675 where: bonds (distance) C4'-P energy: -40.998 bonds (distance) P-C4' energy: -61.058 flat angles C4'-P-C4' energy: -67.658 flat angles P-C4'-P energy: -32.357 tors. eta vs tors. theta energy: -63.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -640.364434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.364434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.364434 (E_RNA) where: Base-Base interactions energy: -409.331 where: short stacking energy: -177.708 Base-Backbone interact. energy: -0.258 local terms energy: -230.774733 where: bonds (distance) C4'-P energy: -51.941 bonds (distance) P-C4' energy: -49.683 flat angles C4'-P-C4' energy: -60.223 flat angles P-C4'-P energy: -31.595 tors. eta vs tors. theta energy: -37.334 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: 6 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -549.362837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.362837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.362837 (E_RNA) where: Base-Base interactions energy: -343.240 where: short stacking energy: -167.906 Base-Backbone interact. energy: 0.114 local terms energy: -206.236603 where: bonds (distance) C4'-P energy: -57.030 bonds (distance) P-C4' energy: -48.719 flat angles C4'-P-C4' energy: -47.672 flat angles P-C4'-P energy: -21.083 tors. eta vs tors. theta energy: -31.732 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: 9 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -485.917090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.917090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.917090 (E_RNA) where: Base-Base interactions energy: -272.692 where: short stacking energy: -124.300 Base-Backbone interact. energy: 3.518 local terms energy: -216.742727 where: bonds (distance) C4'-P energy: -53.547 bonds (distance) P-C4' energy: -49.812 flat angles C4'-P-C4' energy: -47.226 flat angles P-C4'-P energy: -43.364 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: 1, replica: 2 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -1181.959168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.959168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.959168 (E_RNA) where: Base-Base interactions energy: -829.666 where: short stacking energy: -358.056 Base-Backbone interact. energy: -0.970 local terms energy: -351.323067 where: bonds (distance) C4'-P energy: -59.944 bonds (distance) P-C4' energy: -56.019 flat angles C4'-P-C4' energy: -70.301 flat angles P-C4'-P energy: -52.795 tors. eta vs tors. theta energy: -112.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -1086.428311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.428311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.428311 (E_RNA) where: Base-Base interactions energy: -743.880 where: short stacking energy: -305.272 Base-Backbone interact. energy: -0.592 local terms energy: -341.956404 where: bonds (distance) C4'-P energy: -57.347 bonds (distance) P-C4' energy: -60.855 flat angles C4'-P-C4' energy: -77.411 flat angles P-C4'-P energy: -45.780 tors. eta vs tors. theta energy: -100.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -1025.754510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.754510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.754510 (E_RNA) where: Base-Base interactions energy: -716.968 where: short stacking energy: -314.411 Base-Backbone interact. energy: -0.732 local terms energy: -308.055016 where: bonds (distance) C4'-P energy: -62.460 bonds (distance) P-C4' energy: -45.691 flat angles C4'-P-C4' energy: -69.911 flat angles P-C4'-P energy: -36.631 tors. eta vs tors. theta energy: -93.362 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: 8 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -984.783755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.783755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.783755 (E_RNA) where: Base-Base interactions energy: -676.659 where: short stacking energy: -290.225 Base-Backbone interact. energy: 0.312 local terms energy: -308.435974 where: bonds (distance) C4'-P energy: -53.479 bonds (distance) P-C4' energy: -62.643 flat angles C4'-P-C4' energy: -58.445 flat angles P-C4'-P energy: -46.022 tors. eta vs tors. theta energy: -87.847 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: 1 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -931.547495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.547495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.547495 (E_RNA) where: Base-Base interactions energy: -634.548 where: short stacking energy: -283.440 Base-Backbone interact. energy: -2.261 local terms energy: -294.737885 where: bonds (distance) C4'-P energy: -50.723 bonds (distance) P-C4' energy: -52.118 flat angles C4'-P-C4' energy: -70.491 flat angles P-C4'-P energy: -42.609 tors. eta vs tors. theta energy: -78.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -849.244684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.244684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.244684 (E_RNA) where: Base-Base interactions energy: -569.942 where: short stacking energy: -248.632 Base-Backbone interact. energy: -1.643 local terms energy: -277.659508 where: bonds (distance) C4'-P energy: -52.994 bonds (distance) P-C4' energy: -52.780 flat angles C4'-P-C4' energy: -65.706 flat angles P-C4'-P energy: -41.833 tors. eta vs tors. theta energy: -64.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -769.120017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.120017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.120017 (E_RNA) where: Base-Base interactions energy: -506.245 where: short stacking energy: -227.663 Base-Backbone interact. energy: -0.902 local terms energy: -261.973690 where: bonds (distance) C4'-P energy: -57.684 bonds (distance) P-C4' energy: -60.992 flat angles C4'-P-C4' energy: -54.705 flat angles P-C4'-P energy: -37.614 tors. eta vs tors. theta energy: -50.979 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: 7 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -621.605270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.605270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.605270 (E_RNA) where: Base-Base interactions energy: -380.790 where: short stacking energy: -174.065 Base-Backbone interact. energy: -0.561 local terms energy: -240.254235 where: bonds (distance) C4'-P energy: -47.767 bonds (distance) P-C4' energy: -62.118 flat angles C4'-P-C4' energy: -53.561 flat angles P-C4'-P energy: -35.502 tors. eta vs tors. theta energy: -41.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -509.300169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.300169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.300169 (E_RNA) where: Base-Base interactions energy: -269.775 where: short stacking energy: -141.251 Base-Backbone interact. energy: -1.941 local terms energy: -237.583619 where: bonds (distance) C4'-P energy: -53.715 bonds (distance) P-C4' energy: -55.244 flat angles C4'-P-C4' energy: -69.864 flat angles P-C4'-P energy: -37.408 tors. eta vs tors. theta energy: -21.353 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: 6 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -505.029859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.029859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.029859 (E_RNA) where: Base-Base interactions energy: -308.645 where: short stacking energy: -146.313 Base-Backbone interact. energy: 0.866 local terms energy: -197.250914 where: bonds (distance) C4'-P energy: -54.113 bonds (distance) P-C4' energy: -42.076 flat angles C4'-P-C4' energy: -51.940 flat angles P-C4'-P energy: -24.348 tors. eta vs tors. theta energy: -24.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -1191.418118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.418118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.418118 (E_RNA) where: Base-Base interactions energy: -824.691 where: short stacking energy: -352.603 Base-Backbone interact. energy: -0.062 local terms energy: -366.665427 where: bonds (distance) C4'-P energy: -67.004 bonds (distance) P-C4' energy: -71.561 flat angles C4'-P-C4' energy: -77.343 flat angles P-C4'-P energy: -53.090 tors. eta vs tors. theta energy: -97.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -1056.386663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.386663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.386663 (E_RNA) where: Base-Base interactions energy: -735.165 where: short stacking energy: -339.060 Base-Backbone interact. energy: -0.240 local terms energy: -320.981047 where: bonds (distance) C4'-P energy: -54.090 bonds (distance) P-C4' energy: -50.858 flat angles C4'-P-C4' energy: -68.418 flat angles P-C4'-P energy: -49.762 tors. eta vs tors. theta energy: -97.852 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: 3, replica: 3 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -1053.015592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.015592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.015592 (E_RNA) where: Base-Base interactions energy: -731.392 where: short stacking energy: -309.702 Base-Backbone interact. energy: -1.252 local terms energy: -320.372438 where: bonds (distance) C4'-P energy: -58.239 bonds (distance) P-C4' energy: -61.300 flat angles C4'-P-C4' energy: -66.063 flat angles P-C4'-P energy: -45.905 tors. eta vs tors. theta energy: -88.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -993.387435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.387435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.387435 (E_RNA) where: Base-Base interactions energy: -685.873 where: short stacking energy: -298.675 Base-Backbone interact. energy: 1.154 local terms energy: -308.668165 where: bonds (distance) C4'-P energy: -66.189 bonds (distance) P-C4' energy: -63.290 flat angles C4'-P-C4' energy: -60.577 flat angles P-C4'-P energy: -47.665 tors. eta vs tors. theta energy: -70.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -927.541274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.541274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.541274 (E_RNA) where: Base-Base interactions energy: -625.781 where: short stacking energy: -272.029 Base-Backbone interact. energy: -0.639 local terms energy: -301.121554 where: bonds (distance) C4'-P energy: -52.413 bonds (distance) P-C4' energy: -51.808 flat angles C4'-P-C4' energy: -70.229 flat angles P-C4'-P energy: -39.076 tors. eta vs tors. theta energy: -87.595 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: 311 Temperature: 1.150000 Total energy: -848.962746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.962746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.962746 (E_RNA) where: Base-Base interactions energy: -574.843 where: short stacking energy: -265.349 Base-Backbone interact. energy: -0.852 local terms energy: -273.267843 where: bonds (distance) C4'-P energy: -55.694 bonds (distance) P-C4' energy: -59.681 flat angles C4'-P-C4' energy: -58.804 flat angles P-C4'-P energy: -29.628 tors. eta vs tors. theta energy: -69.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -739.121337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.121337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.121337 (E_RNA) where: Base-Base interactions energy: -476.056 where: short stacking energy: -222.539 Base-Backbone interact. energy: -1.405 local terms energy: -261.660991 where: bonds (distance) C4'-P energy: -60.666 bonds (distance) P-C4' energy: -50.166 flat angles C4'-P-C4' energy: -49.629 flat angles P-C4'-P energy: -44.628 tors. eta vs tors. theta energy: -56.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -637.071279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.071279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.071279 (E_RNA) where: Base-Base interactions energy: -425.276 where: short stacking energy: -188.626 Base-Backbone interact. energy: 0.110 local terms energy: -211.906102 where: bonds (distance) C4'-P energy: -46.487 bonds (distance) P-C4' energy: -51.826 flat angles C4'-P-C4' energy: -50.536 flat angles P-C4'-P energy: -30.054 tors. eta vs tors. theta energy: -33.003 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: 9 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -511.439916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.439916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.439916 (E_RNA) where: Base-Base interactions energy: -294.576 where: short stacking energy: -129.769 Base-Backbone interact. energy: -0.836 local terms energy: -216.027094 where: bonds (distance) C4'-P energy: -49.711 bonds (distance) P-C4' energy: -50.943 flat angles C4'-P-C4' energy: -61.613 flat angles P-C4'-P energy: -36.420 tors. eta vs tors. theta energy: -17.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -536.536649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.536649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.536649 (E_RNA) where: Base-Base interactions energy: -327.083 where: short stacking energy: -159.933 Base-Backbone interact. energy: -0.277 local terms energy: -209.177178 where: bonds (distance) C4'-P energy: -46.338 bonds (distance) P-C4' energy: -54.802 flat angles C4'-P-C4' energy: -40.716 flat angles P-C4'-P energy: -37.669 tors. eta vs tors. theta energy: -29.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -1191.404518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.404518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.404518 (E_RNA) where: Base-Base interactions energy: -822.254 where: short stacking energy: -361.565 Base-Backbone interact. energy: -0.191 local terms energy: -368.959869 where: bonds (distance) C4'-P energy: -67.275 bonds (distance) P-C4' energy: -57.846 flat angles C4'-P-C4' energy: -73.164 flat angles P-C4'-P energy: -56.517 tors. eta vs tors. theta energy: -114.157 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: 2, replica: 5 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -1057.397172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.397172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.397172 (E_RNA) where: Base-Base interactions energy: -717.784 where: short stacking energy: -299.308 Base-Backbone interact. energy: -2.455 local terms energy: -337.158365 where: bonds (distance) C4'-P energy: -61.998 bonds (distance) P-C4' energy: -65.508 flat angles C4'-P-C4' energy: -69.925 flat angles P-C4'-P energy: -46.603 tors. eta vs tors. theta energy: -93.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -1048.823487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.823487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.823487 (E_RNA) where: Base-Base interactions energy: -716.098 where: short stacking energy: -298.118 Base-Backbone interact. energy: -2.014 local terms energy: -330.710984 where: bonds (distance) C4'-P energy: -61.305 bonds (distance) P-C4' energy: -68.049 flat angles C4'-P-C4' energy: -70.241 flat angles P-C4'-P energy: -42.537 tors. eta vs tors. theta energy: -88.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -979.709684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.709684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.709684 (E_RNA) where: Base-Base interactions energy: -655.251 where: short stacking energy: -285.770 Base-Backbone interact. energy: -2.496 local terms energy: -321.963024 where: bonds (distance) C4'-P energy: -62.595 bonds (distance) P-C4' energy: -64.408 flat angles C4'-P-C4' energy: -72.276 flat angles P-C4'-P energy: -47.240 tors. eta vs tors. theta energy: -75.444 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: 1 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -933.076854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.076854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.076854 (E_RNA) where: Base-Base interactions energy: -628.744 where: short stacking energy: -291.553 Base-Backbone interact. energy: -2.366 local terms energy: -301.966740 where: bonds (distance) C4'-P energy: -47.483 bonds (distance) P-C4' energy: -64.215 flat angles C4'-P-C4' energy: -61.526 flat angles P-C4'-P energy: -41.932 tors. eta vs tors. theta energy: -86.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -877.433285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.433285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.433285 (E_RNA) where: Base-Base interactions energy: -586.470 where: short stacking energy: -275.241 Base-Backbone interact. energy: -0.567 local terms energy: -290.396361 where: bonds (distance) C4'-P energy: -51.092 bonds (distance) P-C4' energy: -55.707 flat angles C4'-P-C4' energy: -65.941 flat angles P-C4'-P energy: -37.626 tors. eta vs tors. theta energy: -80.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -701.242801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.242801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.242801 (E_RNA) where: Base-Base interactions energy: -449.897 where: short stacking energy: -190.863 Base-Backbone interact. energy: -0.063 local terms energy: -251.282480 where: bonds (distance) C4'-P energy: -35.322 bonds (distance) P-C4' energy: -70.720 flat angles C4'-P-C4' energy: -62.677 flat angles P-C4'-P energy: -45.774 tors. eta vs tors. theta energy: -36.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -607.179656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.179656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.179656 (E_RNA) where: Base-Base interactions energy: -404.952 where: short stacking energy: -182.123 Base-Backbone interact. energy: -1.132 local terms energy: -201.095908 where: bonds (distance) C4'-P energy: -39.154 bonds (distance) P-C4' energy: -59.130 flat angles C4'-P-C4' energy: -46.383 flat angles P-C4'-P energy: -23.854 tors. eta vs tors. theta energy: -32.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -530.002098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.002098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.002098 (E_RNA) where: Base-Base interactions energy: -326.101 where: short stacking energy: -154.599 Base-Backbone interact. energy: 2.266 local terms energy: -206.166619 where: bonds (distance) C4'-P energy: -45.042 bonds (distance) P-C4' energy: -54.873 flat angles C4'-P-C4' energy: -52.564 flat angles P-C4'-P energy: -35.237 tors. eta vs tors. theta energy: -18.451 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: 9 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -482.755501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.755501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.755501 (E_RNA) where: Base-Base interactions energy: -295.771 where: short stacking energy: -143.173 Base-Backbone interact. energy: 5.456 local terms energy: -192.440706 where: bonds (distance) C4'-P energy: -56.216 bonds (distance) P-C4' energy: -44.609 flat angles C4'-P-C4' energy: -44.647 flat angles P-C4'-P energy: -30.021 tors. eta vs tors. theta energy: -16.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -1179.078980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.078980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.078980 (E_RNA) where: Base-Base interactions energy: -824.898 where: short stacking energy: -352.162 Base-Backbone interact. energy: -0.124 local terms energy: -354.056837 where: bonds (distance) C4'-P energy: -52.480 bonds (distance) P-C4' energy: -67.861 flat angles C4'-P-C4' energy: -70.357 flat angles P-C4'-P energy: -50.820 tors. eta vs tors. theta energy: -112.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -1094.538651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.538651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.538651 (E_RNA) where: Base-Base interactions energy: -765.252 where: short stacking energy: -322.792 Base-Backbone interact. energy: -1.550 local terms energy: -327.736652 where: bonds (distance) C4'-P energy: -55.275 bonds (distance) P-C4' energy: -61.832 flat angles C4'-P-C4' energy: -69.182 flat angles P-C4'-P energy: -45.959 tors. eta vs tors. theta energy: -95.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -1027.985280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.985280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.985280 (E_RNA) where: Base-Base interactions energy: -715.626 where: short stacking energy: -310.029 Base-Backbone interact. energy: -1.838 local terms energy: -310.521242 where: bonds (distance) C4'-P energy: -43.991 bonds (distance) P-C4' energy: -68.110 flat angles C4'-P-C4' energy: -68.117 flat angles P-C4'-P energy: -36.528 tors. eta vs tors. theta energy: -93.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -1002.401023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.401023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.401023 (E_RNA) where: Base-Base interactions energy: -685.918 where: short stacking energy: -303.921 Base-Backbone interact. energy: 1.300 local terms energy: -317.783216 where: bonds (distance) C4'-P energy: -61.518 bonds (distance) P-C4' energy: -60.116 flat angles C4'-P-C4' energy: -67.972 flat angles P-C4'-P energy: -45.007 tors. eta vs tors. theta energy: -83.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -948.961097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.961097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.961097 (E_RNA) where: Base-Base interactions energy: -659.945 where: short stacking energy: -279.987 Base-Backbone interact. energy: -1.361 local terms energy: -287.655572 where: bonds (distance) C4'-P energy: -55.609 bonds (distance) P-C4' energy: -57.350 flat angles C4'-P-C4' energy: -61.599 flat angles P-C4'-P energy: -30.635 tors. eta vs tors. theta energy: -82.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -853.467181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.467181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.467181 (E_RNA) where: Base-Base interactions energy: -541.365 where: short stacking energy: -263.377 Base-Backbone interact. energy: -1.453 local terms energy: -310.649744 where: bonds (distance) C4'-P energy: -62.112 bonds (distance) P-C4' energy: -55.094 flat angles C4'-P-C4' energy: -66.851 flat angles P-C4'-P energy: -46.686 tors. eta vs tors. theta energy: -79.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -727.707111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.707111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.707111 (E_RNA) where: Base-Base interactions energy: -478.186 where: short stacking energy: -204.059 Base-Backbone interact. energy: -0.269 local terms energy: -249.252246 where: bonds (distance) C4'-P energy: -50.220 bonds (distance) P-C4' energy: -57.451 flat angles C4'-P-C4' energy: -59.203 flat angles P-C4'-P energy: -26.775 tors. eta vs tors. theta energy: -55.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -615.990014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.990014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.990014 (E_RNA) where: Base-Base interactions energy: -386.797 where: short stacking energy: -171.771 Base-Backbone interact. energy: -0.176 local terms energy: -229.016893 where: bonds (distance) C4'-P energy: -48.770 bonds (distance) P-C4' energy: -47.466 flat angles C4'-P-C4' energy: -63.060 flat angles P-C4'-P energy: -34.006 tors. eta vs tors. theta energy: -35.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -533.896540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.896540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.896540 (E_RNA) where: Base-Base interactions energy: -323.792 where: short stacking energy: -150.252 Base-Backbone interact. energy: 0.024 local terms energy: -210.129411 where: bonds (distance) C4'-P energy: -51.174 bonds (distance) P-C4' energy: -56.223 flat angles C4'-P-C4' energy: -48.503 flat angles P-C4'-P energy: -25.532 tors. eta vs tors. theta energy: -28.697 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: 9 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -504.391794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.391794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.391794 (E_RNA) where: Base-Base interactions energy: -310.362 where: short stacking energy: -143.072 Base-Backbone interact. energy: 1.727 local terms energy: -195.756623 where: bonds (distance) C4'-P energy: -49.079 bonds (distance) P-C4' energy: -44.922 flat angles C4'-P-C4' energy: -45.179 flat angles P-C4'-P energy: -32.823 tors. eta vs tors. theta energy: -23.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -1180.344895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.344895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.344895 (E_RNA) where: Base-Base interactions energy: -831.585 where: short stacking energy: -366.104 Base-Backbone interact. energy: 0.160 local terms energy: -348.919312 where: bonds (distance) C4'-P energy: -57.841 bonds (distance) P-C4' energy: -63.391 flat angles C4'-P-C4' energy: -70.711 flat angles P-C4'-P energy: -46.206 tors. eta vs tors. theta energy: -110.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -1112.250959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.250959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.250959 (E_RNA) where: Base-Base interactions energy: -768.985 where: short stacking energy: -320.573 Base-Backbone interact. energy: -0.841 local terms energy: -342.425272 where: bonds (distance) C4'-P energy: -64.436 bonds (distance) P-C4' energy: -59.994 flat angles C4'-P-C4' energy: -71.084 flat angles P-C4'-P energy: -50.998 tors. eta vs tors. theta energy: -95.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -1051.327548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.327548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.327548 (E_RNA) where: Base-Base interactions energy: -717.217 where: short stacking energy: -327.957 Base-Backbone interact. energy: -0.779 local terms energy: -333.331454 where: bonds (distance) C4'-P energy: -48.512 bonds (distance) P-C4' energy: -63.688 flat angles C4'-P-C4' energy: -73.925 flat angles P-C4'-P energy: -50.138 tors. eta vs tors. theta energy: -97.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -988.525913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.525913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.525913 (E_RNA) where: Base-Base interactions energy: -683.673 where: short stacking energy: -296.069 Base-Backbone interact. energy: 1.203 local terms energy: -306.055559 where: bonds (distance) C4'-P energy: -51.381 bonds (distance) P-C4' energy: -66.830 flat angles C4'-P-C4' energy: -69.365 flat angles P-C4'-P energy: -38.035 tors. eta vs tors. theta energy: -80.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -958.572854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.572854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.572854 (E_RNA) where: Base-Base interactions energy: -654.773 where: short stacking energy: -288.329 Base-Backbone interact. energy: -2.200 local terms energy: -301.599514 where: bonds (distance) C4'-P energy: -63.154 bonds (distance) P-C4' energy: -52.229 flat angles C4'-P-C4' energy: -61.031 flat angles P-C4'-P energy: -38.584 tors. eta vs tors. theta energy: -86.601 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: 4 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -856.919441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.919441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.919441 (E_RNA) where: Base-Base interactions energy: -578.799 where: short stacking energy: -250.703 Base-Backbone interact. energy: -1.020 local terms energy: -277.100532 where: bonds (distance) C4'-P energy: -55.704 bonds (distance) P-C4' energy: -40.480 flat angles C4'-P-C4' energy: -66.324 flat angles P-C4'-P energy: -49.094 tors. eta vs tors. theta energy: -65.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -707.121110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.121110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.121110 (E_RNA) where: Base-Base interactions energy: -464.736 where: short stacking energy: -196.601 Base-Backbone interact. energy: -2.258 local terms energy: -240.127315 where: bonds (distance) C4'-P energy: -50.589 bonds (distance) P-C4' energy: -53.005 flat angles C4'-P-C4' energy: -51.283 flat angles P-C4'-P energy: -37.314 tors. eta vs tors. theta energy: -47.936 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: 7 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -601.258687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.258687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.258687 (E_RNA) where: Base-Base interactions energy: -382.109 where: short stacking energy: -177.935 Base-Backbone interact. energy: 3.167 local terms energy: -222.316933 where: bonds (distance) C4'-P energy: -48.646 bonds (distance) P-C4' energy: -51.299 flat angles C4'-P-C4' energy: -59.934 flat angles P-C4'-P energy: -35.279 tors. eta vs tors. theta energy: -27.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -547.295347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.295347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.295347 (E_RNA) where: Base-Base interactions energy: -311.863 where: short stacking energy: -149.269 Base-Backbone interact. energy: 2.277 local terms energy: -237.709144 where: bonds (distance) C4'-P energy: -60.619 bonds (distance) P-C4' energy: -61.919 flat angles C4'-P-C4' energy: -56.727 flat angles P-C4'-P energy: -35.789 tors. eta vs tors. theta energy: -22.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -513.259995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.259995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.259995 (E_RNA) where: Base-Base interactions energy: -308.234 where: short stacking energy: -163.150 Base-Backbone interact. energy: -1.193 local terms energy: -203.833228 where: bonds (distance) C4'-P energy: -44.941 bonds (distance) P-C4' energy: -55.179 flat angles C4'-P-C4' energy: -46.311 flat angles P-C4'-P energy: -34.845 tors. eta vs tors. theta energy: -22.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -1173.224101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.224101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.224101 (E_RNA) where: Base-Base interactions energy: -809.845 where: short stacking energy: -349.429 Base-Backbone interact. energy: -0.057 local terms energy: -363.322570 where: bonds (distance) C4'-P energy: -59.351 bonds (distance) P-C4' energy: -56.130 flat angles C4'-P-C4' energy: -75.021 flat angles P-C4'-P energy: -58.866 tors. eta vs tors. theta energy: -113.955 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: 5 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -1046.600204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.600204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.600204 (E_RNA) where: Base-Base interactions energy: -712.682 where: short stacking energy: -318.774 Base-Backbone interact. energy: -4.922 local terms energy: -328.995419 where: bonds (distance) C4'-P energy: -63.223 bonds (distance) P-C4' energy: -61.947 flat angles C4'-P-C4' energy: -69.259 flat angles P-C4'-P energy: -44.669 tors. eta vs tors. theta energy: -89.897 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: 3 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -1071.535876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.535876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.535876 (E_RNA) where: Base-Base interactions energy: -735.107 where: short stacking energy: -319.622 Base-Backbone interact. energy: 0.535 local terms energy: -336.963316 where: bonds (distance) C4'-P energy: -62.585 bonds (distance) P-C4' energy: -63.894 flat angles C4'-P-C4' energy: -64.827 flat angles P-C4'-P energy: -47.972 tors. eta vs tors. theta energy: -97.685 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: 1 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -968.183244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.183244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.183244 (E_RNA) where: Base-Base interactions energy: -662.302 where: short stacking energy: -288.179 Base-Backbone interact. energy: 0.187 local terms energy: -306.068332 where: bonds (distance) C4'-P energy: -60.607 bonds (distance) P-C4' energy: -45.304 flat angles C4'-P-C4' energy: -72.349 flat angles P-C4'-P energy: -41.242 tors. eta vs tors. theta energy: -86.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -961.367206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.367206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.367206 (E_RNA) where: Base-Base interactions energy: -642.979 where: short stacking energy: -275.243 Base-Backbone interact. energy: 0.841 local terms energy: -319.228851 where: bonds (distance) C4'-P energy: -67.748 bonds (distance) P-C4' energy: -58.862 flat angles C4'-P-C4' energy: -65.422 flat angles P-C4'-P energy: -41.119 tors. eta vs tors. theta energy: -86.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -882.918871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.918871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.918871 (E_RNA) where: Base-Base interactions energy: -579.810 where: short stacking energy: -270.048 Base-Backbone interact. energy: -0.237 local terms energy: -302.871731 where: bonds (distance) C4'-P energy: -47.398 bonds (distance) P-C4' energy: -57.836 flat angles C4'-P-C4' energy: -71.596 flat angles P-C4'-P energy: -45.685 tors. eta vs tors. theta energy: -80.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -718.923017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.923017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.923017 (E_RNA) where: Base-Base interactions energy: -459.902 where: short stacking energy: -205.848 Base-Backbone interact. energy: -0.280 local terms energy: -258.741067 where: bonds (distance) C4'-P energy: -55.300 bonds (distance) P-C4' energy: -65.142 flat angles C4'-P-C4' energy: -56.695 flat angles P-C4'-P energy: -32.363 tors. eta vs tors. theta energy: -49.240 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: 9 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -567.195912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.195912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.195912 (E_RNA) where: Base-Base interactions energy: -336.710 where: short stacking energy: -172.180 Base-Backbone interact. energy: -1.414 local terms energy: -229.072404 where: bonds (distance) C4'-P energy: -53.257 bonds (distance) P-C4' energy: -61.962 flat angles C4'-P-C4' energy: -61.082 flat angles P-C4'-P energy: -15.991 tors. eta vs tors. theta energy: -36.781 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: 7 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -546.709731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.709731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.709731 (E_RNA) where: Base-Base interactions energy: -334.764 where: short stacking energy: -142.554 Base-Backbone interact. energy: -2.779 local terms energy: -209.167505 where: bonds (distance) C4'-P energy: -40.059 bonds (distance) P-C4' energy: -63.084 flat angles C4'-P-C4' energy: -52.612 flat angles P-C4'-P energy: -40.062 tors. eta vs tors. theta energy: -13.351 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: 6 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -487.214638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.214638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.214638 (E_RNA) where: Base-Base interactions energy: -309.113 where: short stacking energy: -147.469 Base-Backbone interact. energy: -1.937 local terms energy: -176.165286 where: bonds (distance) C4'-P energy: -49.753 bonds (distance) P-C4' energy: -33.727 flat angles C4'-P-C4' energy: -41.374 flat angles P-C4'-P energy: -32.933 tors. eta vs tors. theta energy: -18.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -1171.701989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.701989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.701989 (E_RNA) where: Base-Base interactions energy: -807.377 where: short stacking energy: -341.348 Base-Backbone interact. energy: -1.076 local terms energy: -363.249121 where: bonds (distance) C4'-P energy: -64.915 bonds (distance) P-C4' energy: -56.632 flat angles C4'-P-C4' energy: -76.346 flat angles P-C4'-P energy: -50.562 tors. eta vs tors. theta energy: -114.795 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: 5 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -1034.488013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.488013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.488013 (E_RNA) where: Base-Base interactions energy: -703.029 where: short stacking energy: -310.688 Base-Backbone interact. energy: -1.839 local terms energy: -329.619828 where: bonds (distance) C4'-P energy: -60.735 bonds (distance) P-C4' energy: -67.989 flat angles C4'-P-C4' energy: -68.419 flat angles P-C4'-P energy: -37.243 tors. eta vs tors. theta energy: -95.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -1073.471496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.471496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.471496 (E_RNA) where: Base-Base interactions energy: -743.587 where: short stacking energy: -309.471 Base-Backbone interact. energy: -1.108 local terms energy: -328.776776 where: bonds (distance) C4'-P energy: -54.746 bonds (distance) P-C4' energy: -59.579 flat angles C4'-P-C4' energy: -74.527 flat angles P-C4'-P energy: -50.295 tors. eta vs tors. theta energy: -89.630 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: 1 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -977.106857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.106857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.106857 (E_RNA) where: Base-Base interactions energy: -662.371 where: short stacking energy: -294.858 Base-Backbone interact. energy: 1.585 local terms energy: -316.320696 where: bonds (distance) C4'-P energy: -62.738 bonds (distance) P-C4' energy: -56.514 flat angles C4'-P-C4' energy: -76.005 flat angles P-C4'-P energy: -36.113 tors. eta vs tors. theta energy: -84.951 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: 8 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -963.001112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.001112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.001112 (E_RNA) where: Base-Base interactions energy: -646.267 where: short stacking energy: -286.168 Base-Backbone interact. energy: 0.970 local terms energy: -317.704092 where: bonds (distance) C4'-P energy: -59.721 bonds (distance) P-C4' energy: -64.093 flat angles C4'-P-C4' energy: -69.542 flat angles P-C4'-P energy: -45.129 tors. eta vs tors. theta energy: -79.219 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: 4 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -898.123047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.123047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.123047 (E_RNA) where: Base-Base interactions energy: -616.427 where: short stacking energy: -275.054 Base-Backbone interact. energy: -0.846 local terms energy: -280.849870 where: bonds (distance) C4'-P energy: -51.977 bonds (distance) P-C4' energy: -59.678 flat angles C4'-P-C4' energy: -65.508 flat angles P-C4'-P energy: -27.479 tors. eta vs tors. theta energy: -76.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -706.971215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.971215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.971215 (E_RNA) where: Base-Base interactions energy: -456.006 where: short stacking energy: -222.409 Base-Backbone interact. energy: -0.340 local terms energy: -250.624685 where: bonds (distance) C4'-P energy: -52.609 bonds (distance) P-C4' energy: -59.353 flat angles C4'-P-C4' energy: -63.213 flat angles P-C4'-P energy: -25.612 tors. eta vs tors. theta energy: -49.838 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: 9 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -589.925942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.925942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.925942 (E_RNA) where: Base-Base interactions energy: -326.414 where: short stacking energy: -165.277 Base-Backbone interact. energy: 0.686 local terms energy: -264.197961 where: bonds (distance) C4'-P energy: -52.251 bonds (distance) P-C4' energy: -68.547 flat angles C4'-P-C4' energy: -62.166 flat angles P-C4'-P energy: -35.410 tors. eta vs tors. theta energy: -45.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -560.565775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.565775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.565775 (E_RNA) where: Base-Base interactions energy: -337.006 where: short stacking energy: -152.222 Base-Backbone interact. energy: 1.286 local terms energy: -224.845859 where: bonds (distance) C4'-P energy: -49.719 bonds (distance) P-C4' energy: -58.461 flat angles C4'-P-C4' energy: -51.384 flat angles P-C4'-P energy: -41.713 tors. eta vs tors. theta energy: -23.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -505.742999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.742999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.742999 (E_RNA) where: Base-Base interactions energy: -297.886 where: short stacking energy: -163.266 Base-Backbone interact. energy: -1.849 local terms energy: -206.007422 where: bonds (distance) C4'-P energy: -49.032 bonds (distance) P-C4' energy: -48.674 flat angles C4'-P-C4' energy: -47.827 flat angles P-C4'-P energy: -36.629 tors. eta vs tors. theta energy: -23.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -1177.315178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.315178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.315178 (E_RNA) where: Base-Base interactions energy: -820.147 where: short stacking energy: -362.520 Base-Backbone interact. energy: -1.053 local terms energy: -356.115579 where: bonds (distance) C4'-P energy: -66.785 bonds (distance) P-C4' energy: -63.369 flat angles C4'-P-C4' energy: -74.605 flat angles P-C4'-P energy: -43.975 tors. eta vs tors. theta energy: -107.381 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: 3 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -1078.867184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.867184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.867184 (E_RNA) where: Base-Base interactions energy: -735.079 where: short stacking energy: -298.863 Base-Backbone interact. energy: -2.755 local terms energy: -341.033614 where: bonds (distance) C4'-P energy: -63.691 bonds (distance) P-C4' energy: -61.446 flat angles C4'-P-C4' energy: -67.185 flat angles P-C4'-P energy: -52.053 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: 3, replica: 5 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -1031.845147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.845147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.845147 (E_RNA) where: Base-Base interactions energy: -721.932 where: short stacking energy: -312.677 Base-Backbone interact. energy: 3.041 local terms energy: -312.954553 where: bonds (distance) C4'-P energy: -69.386 bonds (distance) P-C4' energy: -50.864 flat angles C4'-P-C4' energy: -68.209 flat angles P-C4'-P energy: -42.065 tors. eta vs tors. theta energy: -82.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -992.659542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.659542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.659542 (E_RNA) where: Base-Base interactions energy: -665.990 where: short stacking energy: -281.709 Base-Backbone interact. energy: 2.045 local terms energy: -328.713817 where: bonds (distance) C4'-P energy: -62.905 bonds (distance) P-C4' energy: -58.122 flat angles C4'-P-C4' energy: -73.482 flat angles P-C4'-P energy: -38.662 tors. eta vs tors. theta energy: -95.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -964.805005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.805005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.805005 (E_RNA) where: Base-Base interactions energy: -692.510 where: short stacking energy: -294.812 Base-Backbone interact. energy: 1.905 local terms energy: -274.199791 where: bonds (distance) C4'-P energy: -52.971 bonds (distance) P-C4' energy: -44.621 flat angles C4'-P-C4' energy: -50.779 flat angles P-C4'-P energy: -48.624 tors. eta vs tors. theta energy: -77.205 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: 317 Temperature: 1.150000 Total energy: -898.082045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.082045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.082045 (E_RNA) where: Base-Base interactions energy: -618.341 where: short stacking energy: -282.113 Base-Backbone interact. energy: -0.151 local terms energy: -279.590182 where: bonds (distance) C4'-P energy: -56.730 bonds (distance) P-C4' energy: -63.811 flat angles C4'-P-C4' energy: -43.782 flat angles P-C4'-P energy: -35.889 tors. eta vs tors. theta energy: -79.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -731.215880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.215880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.215880 (E_RNA) where: Base-Base interactions energy: -482.569 where: short stacking energy: -218.502 Base-Backbone interact. energy: -2.924 local terms energy: -245.722109 where: bonds (distance) C4'-P energy: -56.174 bonds (distance) P-C4' energy: -46.953 flat angles C4'-P-C4' energy: -62.874 flat angles P-C4'-P energy: -35.280 tors. eta vs tors. theta energy: -44.440 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: 6 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -612.929534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.929534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.929534 (E_RNA) where: Base-Base interactions energy: -386.007 where: short stacking energy: -172.651 Base-Backbone interact. energy: -1.108 local terms energy: -225.814461 where: bonds (distance) C4'-P energy: -50.322 bonds (distance) P-C4' energy: -59.817 flat angles C4'-P-C4' energy: -50.035 flat angles P-C4'-P energy: -32.129 tors. eta vs tors. theta energy: -33.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -503.834299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.834299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.834299 (E_RNA) where: Base-Base interactions energy: -312.819 where: short stacking energy: -136.305 Base-Backbone interact. energy: -0.037 local terms energy: -190.978117 where: bonds (distance) C4'-P energy: -57.869 bonds (distance) P-C4' energy: -59.014 flat angles C4'-P-C4' energy: -44.123 flat angles P-C4'-P energy: -16.477 tors. eta vs tors. theta energy: -13.496 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: 7 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -523.587247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.587247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.587247 (E_RNA) where: Base-Base interactions energy: -318.485 where: short stacking energy: -168.142 Base-Backbone interact. energy: -0.855 local terms energy: -204.247351 where: bonds (distance) C4'-P energy: -38.543 bonds (distance) P-C4' energy: -44.905 flat angles C4'-P-C4' energy: -47.569 flat angles P-C4'-P energy: -41.892 tors. eta vs tors. theta energy: -31.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -1178.738013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.738013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.738013 (E_RNA) where: Base-Base interactions energy: -826.759 where: short stacking energy: -338.308 Base-Backbone interact. energy: -0.150 local terms energy: -351.829345 where: bonds (distance) C4'-P energy: -63.426 bonds (distance) P-C4' energy: -68.053 flat angles C4'-P-C4' energy: -74.291 flat angles P-C4'-P energy: -39.533 tors. eta vs tors. theta energy: -106.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -1076.362799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.362799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.362799 (E_RNA) where: Base-Base interactions energy: -729.194 where: short stacking energy: -315.345 Base-Backbone interact. energy: -1.681 local terms energy: -345.487722 where: bonds (distance) C4'-P energy: -61.557 bonds (distance) P-C4' energy: -66.885 flat angles C4'-P-C4' energy: -75.270 flat angles P-C4'-P energy: -46.978 tors. eta vs tors. theta energy: -94.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -1032.151704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.151704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.151704 (E_RNA) where: Base-Base interactions energy: -698.208 where: short stacking energy: -284.643 Base-Backbone interact. energy: -2.261 local terms energy: -331.682482 where: bonds (distance) C4'-P energy: -64.233 bonds (distance) P-C4' energy: -63.762 flat angles C4'-P-C4' energy: -63.763 flat angles P-C4'-P energy: -48.159 tors. eta vs tors. theta energy: -91.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -1007.673583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.673583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.673583 (E_RNA) where: Base-Base interactions energy: -698.942 where: short stacking energy: -314.403 Base-Backbone interact. energy: -2.626 local terms energy: -306.106478 where: bonds (distance) C4'-P energy: -51.389 bonds (distance) P-C4' energy: -59.452 flat angles C4'-P-C4' energy: -60.914 flat angles P-C4'-P energy: -44.318 tors. eta vs tors. theta energy: -90.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -963.780076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.780076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.780076 (E_RNA) where: Base-Base interactions energy: -662.787 where: short stacking energy: -285.232 Base-Backbone interact. energy: -2.622 local terms energy: -298.371043 where: bonds (distance) C4'-P energy: -52.274 bonds (distance) P-C4' energy: -55.514 flat angles C4'-P-C4' energy: -65.819 flat angles P-C4'-P energy: -40.883 tors. eta vs tors. theta energy: -83.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -855.096972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.096972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.096972 (E_RNA) where: Base-Base interactions energy: -568.677 where: short stacking energy: -244.090 Base-Backbone interact. energy: -2.025 local terms energy: -284.395284 where: bonds (distance) C4'-P energy: -51.417 bonds (distance) P-C4' energy: -48.484 flat angles C4'-P-C4' energy: -69.684 flat angles P-C4'-P energy: -41.198 tors. eta vs tors. theta energy: -73.612 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: 7, replica: 10 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -742.680069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.680069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.680069 (E_RNA) where: Base-Base interactions energy: -467.527 where: short stacking energy: -212.206 Base-Backbone interact. energy: -1.638 local terms energy: -273.514420 where: bonds (distance) C4'-P energy: -63.400 bonds (distance) P-C4' energy: -64.511 flat angles C4'-P-C4' energy: -60.328 flat angles P-C4'-P energy: -34.415 tors. eta vs tors. theta energy: -50.860 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: 6 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -573.582184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.582184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.582184 (E_RNA) where: Base-Base interactions energy: -340.978 where: short stacking energy: -150.789 Base-Backbone interact. energy: -0.037 local terms energy: -232.566798 where: bonds (distance) C4'-P energy: -44.957 bonds (distance) P-C4' energy: -62.809 flat angles C4'-P-C4' energy: -52.969 flat angles P-C4'-P energy: -41.014 tors. eta vs tors. theta energy: -30.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -516.334031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.334031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.334031 (E_RNA) where: Base-Base interactions energy: -292.181 where: short stacking energy: -152.455 Base-Backbone interact. energy: 3.357 local terms energy: -227.510546 where: bonds (distance) C4'-P energy: -52.809 bonds (distance) P-C4' energy: -66.992 flat angles C4'-P-C4' energy: -41.295 flat angles P-C4'-P energy: -44.119 tors. eta vs tors. theta energy: -22.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -503.860152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.860152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.860152 (E_RNA) where: Base-Base interactions energy: -291.545 where: short stacking energy: -134.760 Base-Backbone interact. energy: -1.051 local terms energy: -211.263499 where: bonds (distance) C4'-P energy: -57.839 bonds (distance) P-C4' energy: -56.705 flat angles C4'-P-C4' energy: -58.132 flat angles P-C4'-P energy: -28.937 tors. eta vs tors. theta energy: -9.650 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: 2 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -1181.933899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.933899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.933899 (E_RNA) where: Base-Base interactions energy: -820.823 where: short stacking energy: -343.948 Base-Backbone interact. energy: 0.725 local terms energy: -361.836374 where: bonds (distance) C4'-P energy: -64.087 bonds (distance) P-C4' energy: -61.848 flat angles C4'-P-C4' energy: -69.549 flat angles P-C4'-P energy: -58.823 tors. eta vs tors. theta energy: -107.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -1079.467254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.467254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.467254 (E_RNA) where: Base-Base interactions energy: -743.799 where: short stacking energy: -329.225 Base-Backbone interact. energy: -1.615 local terms energy: -334.053127 where: bonds (distance) C4'-P energy: -61.941 bonds (distance) P-C4' energy: -63.913 flat angles C4'-P-C4' energy: -70.643 flat angles P-C4'-P energy: -42.387 tors. eta vs tors. theta energy: -95.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -1033.147916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.147916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.147916 (E_RNA) where: Base-Base interactions energy: -709.442 where: short stacking energy: -289.424 Base-Backbone interact. energy: -0.609 local terms energy: -323.097028 where: bonds (distance) C4'-P energy: -47.801 bonds (distance) P-C4' energy: -64.285 flat angles C4'-P-C4' energy: -69.214 flat angles P-C4'-P energy: -50.164 tors. eta vs tors. theta energy: -91.634 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: 8 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -992.069497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.069497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.069497 (E_RNA) where: Base-Base interactions energy: -676.274 where: short stacking energy: -271.942 Base-Backbone interact. energy: -2.607 local terms energy: -313.188003 where: bonds (distance) C4'-P energy: -68.156 bonds (distance) P-C4' energy: -61.713 flat angles C4'-P-C4' energy: -59.243 flat angles P-C4'-P energy: -46.184 tors. eta vs tors. theta energy: -77.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -1001.255768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.255768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.255768 (E_RNA) where: Base-Base interactions energy: -689.004 where: short stacking energy: -294.447 Base-Backbone interact. energy: -2.226 local terms energy: -310.025251 where: bonds (distance) C4'-P energy: -53.808 bonds (distance) P-C4' energy: -58.990 flat angles C4'-P-C4' energy: -61.130 flat angles P-C4'-P energy: -45.941 tors. eta vs tors. theta energy: -90.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -882.474958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.474958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.474958 (E_RNA) where: Base-Base interactions energy: -599.361 where: short stacking energy: -265.211 Base-Backbone interact. energy: -2.303 local terms energy: -280.811149 where: bonds (distance) C4'-P energy: -58.492 bonds (distance) P-C4' energy: -61.523 flat angles C4'-P-C4' energy: -49.912 flat angles P-C4'-P energy: -42.099 tors. eta vs tors. theta energy: -68.785 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: 7, replica: 10 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -728.901977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.901977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.901977 (E_RNA) where: Base-Base interactions energy: -480.083 where: short stacking energy: -201.574 Base-Backbone interact. energy: -1.230 local terms energy: -247.588816 where: bonds (distance) C4'-P energy: -55.610 bonds (distance) P-C4' energy: -49.440 flat angles C4'-P-C4' energy: -51.215 flat angles P-C4'-P energy: -39.874 tors. eta vs tors. theta energy: -51.450 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: 8, replica: 7 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -537.779320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.779320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.779320 (E_RNA) where: Base-Base interactions energy: -321.678 where: short stacking energy: -157.608 Base-Backbone interact. energy: 0.089 local terms energy: -216.190229 where: bonds (distance) C4'-P energy: -53.171 bonds (distance) P-C4' energy: -61.539 flat angles C4'-P-C4' energy: -49.167 flat angles P-C4'-P energy: -26.166 tors. eta vs tors. theta energy: -26.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -584.811893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.811893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.811893 (E_RNA) where: Base-Base interactions energy: -361.795 where: short stacking energy: -177.960 Base-Backbone interact. energy: -1.240 local terms energy: -221.776767 where: bonds (distance) C4'-P energy: -43.217 bonds (distance) P-C4' energy: -57.274 flat angles C4'-P-C4' energy: -47.619 flat angles P-C4'-P energy: -35.635 tors. eta vs tors. theta energy: -38.031 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: 9 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -495.074065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.074065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.074065 (E_RNA) where: Base-Base interactions energy: -287.903 where: short stacking energy: -144.078 Base-Backbone interact. energy: -1.958 local terms energy: -205.213081 where: bonds (distance) C4'-P energy: -50.421 bonds (distance) P-C4' energy: -52.148 flat angles C4'-P-C4' energy: -45.724 flat angles P-C4'-P energy: -33.690 tors. eta vs tors. theta energy: -23.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -1176.298831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.298831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.298831 (E_RNA) where: Base-Base interactions energy: -821.921 where: short stacking energy: -360.325 Base-Backbone interact. energy: -0.977 local terms energy: -353.400304 where: bonds (distance) C4'-P energy: -62.788 bonds (distance) P-C4' energy: -64.399 flat angles C4'-P-C4' energy: -72.033 flat angles P-C4'-P energy: -49.251 tors. eta vs tors. theta energy: -104.929 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: 3 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -1094.971783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.971783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.971783 (E_RNA) where: Base-Base interactions energy: -763.157 where: short stacking energy: -323.978 Base-Backbone interact. energy: -0.416 local terms energy: -331.397891 where: bonds (distance) C4'-P energy: -62.109 bonds (distance) P-C4' energy: -68.413 flat angles C4'-P-C4' energy: -63.612 flat angles P-C4'-P energy: -46.602 tors. eta vs tors. theta energy: -90.662 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: 1 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -1021.036961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.036961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.036961 (E_RNA) where: Base-Base interactions energy: -684.515 where: short stacking energy: -296.977 Base-Backbone interact. energy: -0.942 local terms energy: -335.579485 where: bonds (distance) C4'-P energy: -54.918 bonds (distance) P-C4' energy: -62.480 flat angles C4'-P-C4' energy: -71.653 flat angles P-C4'-P energy: -55.046 tors. eta vs tors. theta energy: -91.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -1033.525508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.525508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.525508 (E_RNA) where: Base-Base interactions energy: -707.168 where: short stacking energy: -294.435 Base-Backbone interact. energy: -0.780 local terms energy: -325.577331 where: bonds (distance) C4'-P energy: -58.029 bonds (distance) P-C4' energy: -64.952 flat angles C4'-P-C4' energy: -67.917 flat angles P-C4'-P energy: -44.510 tors. eta vs tors. theta energy: -90.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -961.408727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.408727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.408727 (E_RNA) where: Base-Base interactions energy: -677.079 where: short stacking energy: -287.569 Base-Backbone interact. energy: -0.315 local terms energy: -284.014895 where: bonds (distance) C4'-P energy: -58.516 bonds (distance) P-C4' energy: -56.834 flat angles C4'-P-C4' energy: -59.359 flat angles P-C4'-P energy: -26.189 tors. eta vs tors. theta energy: -83.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -891.091393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.091393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.091393 (E_RNA) where: Base-Base interactions energy: -581.087 where: short stacking energy: -260.090 Base-Backbone interact. energy: -1.692 local terms energy: -308.311673 where: bonds (distance) C4'-P energy: -66.702 bonds (distance) P-C4' energy: -56.440 flat angles C4'-P-C4' energy: -62.745 flat angles P-C4'-P energy: -41.609 tors. eta vs tors. theta energy: -80.816 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: 10 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -767.912328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.912328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.912328 (E_RNA) where: Base-Base interactions energy: -516.654 where: short stacking energy: -227.103 Base-Backbone interact. energy: -1.544 local terms energy: -249.714450 where: bonds (distance) C4'-P energy: -52.445 bonds (distance) P-C4' energy: -49.936 flat angles C4'-P-C4' energy: -62.628 flat angles P-C4'-P energy: -33.756 tors. eta vs tors. theta energy: -50.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -535.646539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.646539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.646539 (E_RNA) where: Base-Base interactions energy: -303.616 where: short stacking energy: -155.202 Base-Backbone interact. energy: 0.610 local terms energy: -232.640404 where: bonds (distance) C4'-P energy: -56.371 bonds (distance) P-C4' energy: -59.842 flat angles C4'-P-C4' energy: -52.269 flat angles P-C4'-P energy: -40.467 tors. eta vs tors. theta energy: -23.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -611.549503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.549503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.549503 (E_RNA) where: Base-Base interactions energy: -404.256 where: short stacking energy: -185.670 Base-Backbone interact. energy: 1.469 local terms energy: -208.762777 where: bonds (distance) C4'-P energy: -49.332 bonds (distance) P-C4' energy: -57.311 flat angles C4'-P-C4' energy: -44.807 flat angles P-C4'-P energy: -28.599 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: 10, replica: 9 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -554.513266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.513266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.513266 (E_RNA) where: Base-Base interactions energy: -337.724 where: short stacking energy: -159.595 Base-Backbone interact. energy: 2.167 local terms energy: -218.956096 where: bonds (distance) C4'-P energy: -53.066 bonds (distance) P-C4' energy: -48.914 flat angles C4'-P-C4' energy: -51.252 flat angles P-C4'-P energy: -24.672 tors. eta vs tors. theta energy: -41.053 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: 1, replica: 2 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -1184.644732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.644732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.644732 (E_RNA) where: Base-Base interactions energy: -817.189 where: short stacking energy: -349.015 Base-Backbone interact. energy: -1.152 local terms energy: -366.303582 where: bonds (distance) C4'-P energy: -63.149 bonds (distance) P-C4' energy: -67.705 flat angles C4'-P-C4' energy: -75.816 flat angles P-C4'-P energy: -51.609 tors. eta vs tors. theta energy: -108.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -1051.767466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.767466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.767466 (E_RNA) where: Base-Base interactions energy: -701.628 where: short stacking energy: -301.526 Base-Backbone interact. energy: -0.924 local terms energy: -349.216186 where: bonds (distance) C4'-P energy: -65.685 bonds (distance) P-C4' energy: -65.600 flat angles C4'-P-C4' energy: -70.946 flat angles P-C4'-P energy: -44.707 tors. eta vs tors. theta energy: -102.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -1051.975846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.975846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.975846 (E_RNA) where: Base-Base interactions energy: -711.661 where: short stacking energy: -305.814 Base-Backbone interact. energy: 0.538 local terms energy: -340.853507 where: bonds (distance) C4'-P energy: -55.269 bonds (distance) P-C4' energy: -62.177 flat angles C4'-P-C4' energy: -73.128 flat angles P-C4'-P energy: -53.642 tors. eta vs tors. theta energy: -96.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -1010.775767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.775767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.775767 (E_RNA) where: Base-Base interactions energy: -705.785 where: short stacking energy: -271.604 Base-Backbone interact. energy: 2.106 local terms energy: -307.096976 where: bonds (distance) C4'-P energy: -57.374 bonds (distance) P-C4' energy: -56.641 flat angles C4'-P-C4' energy: -61.599 flat angles P-C4'-P energy: -43.285 tors. eta vs tors. theta energy: -88.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -937.341353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.341353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.341353 (E_RNA) where: Base-Base interactions energy: -623.970 where: short stacking energy: -279.620 Base-Backbone interact. energy: -1.713 local terms energy: -311.657690 where: bonds (distance) C4'-P energy: -57.886 bonds (distance) P-C4' energy: -55.567 flat angles C4'-P-C4' energy: -69.220 flat angles P-C4'-P energy: -41.753 tors. eta vs tors. theta energy: -87.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -920.552285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.552285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.552285 (E_RNA) where: Base-Base interactions energy: -615.033 where: short stacking energy: -276.526 Base-Backbone interact. energy: -0.272 local terms energy: -305.247165 where: bonds (distance) C4'-P energy: -57.896 bonds (distance) P-C4' energy: -65.143 flat angles C4'-P-C4' energy: -63.474 flat angles P-C4'-P energy: -35.324 tors. eta vs tors. theta energy: -83.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -714.291397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.291397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.291397 (E_RNA) where: Base-Base interactions energy: -463.047 where: short stacking energy: -212.466 Base-Backbone interact. energy: 1.212 local terms energy: -252.455939 where: bonds (distance) C4'-P energy: -61.394 bonds (distance) P-C4' energy: -65.265 flat angles C4'-P-C4' energy: -39.221 flat angles P-C4'-P energy: -23.806 tors. eta vs tors. theta energy: -62.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -619.936052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.936052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.936052 (E_RNA) where: Base-Base interactions energy: -401.951 where: short stacking energy: -188.778 Base-Backbone interact. energy: 0.803 local terms energy: -218.788187 where: bonds (distance) C4'-P energy: -43.932 bonds (distance) P-C4' energy: -58.060 flat angles C4'-P-C4' energy: -53.465 flat angles P-C4'-P energy: -27.210 tors. eta vs tors. theta energy: -36.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -524.917588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.917588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.917588 (E_RNA) where: Base-Base interactions energy: -315.541 where: short stacking energy: -145.862 Base-Backbone interact. energy: 1.155 local terms energy: -210.531888 where: bonds (distance) C4'-P energy: -44.664 bonds (distance) P-C4' energy: -53.960 flat angles C4'-P-C4' energy: -56.419 flat angles P-C4'-P energy: -35.567 tors. eta vs tors. theta energy: -19.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -539.654647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.654647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.654647 (E_RNA) where: Base-Base interactions energy: -361.381 where: short stacking energy: -173.660 Base-Backbone interact. energy: 0.698 local terms energy: -178.972051 where: bonds (distance) C4'-P energy: -44.387 bonds (distance) P-C4' energy: -49.924 flat angles C4'-P-C4' energy: -34.017 flat angles P-C4'-P energy: -30.461 tors. eta vs tors. theta energy: -20.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -1186.524927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.524927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.524927 (E_RNA) where: Base-Base interactions energy: -826.295 where: short stacking energy: -355.984 Base-Backbone interact. energy: -0.490 local terms energy: -359.739685 where: bonds (distance) C4'-P energy: -61.707 bonds (distance) P-C4' energy: -63.804 flat angles C4'-P-C4' energy: -74.930 flat angles P-C4'-P energy: -53.550 tors. eta vs tors. theta energy: -105.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -1042.794661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.794661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.794661 (E_RNA) where: Base-Base interactions energy: -698.327 where: short stacking energy: -317.950 Base-Backbone interact. energy: -1.310 local terms energy: -343.158258 where: bonds (distance) C4'-P energy: -60.692 bonds (distance) P-C4' energy: -61.344 flat angles C4'-P-C4' energy: -73.662 flat angles P-C4'-P energy: -46.204 tors. eta vs tors. theta energy: -101.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -1058.423872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.423872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.423872 (E_RNA) where: Base-Base interactions energy: -728.760 where: short stacking energy: -315.575 Base-Backbone interact. energy: -1.242 local terms energy: -328.421401 where: bonds (distance) C4'-P energy: -62.984 bonds (distance) P-C4' energy: -51.160 flat angles C4'-P-C4' energy: -74.250 flat angles P-C4'-P energy: -45.447 tors. eta vs tors. theta energy: -94.581 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: 4, replica: 8 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -1049.875954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.875954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.875954 (E_RNA) where: Base-Base interactions energy: -727.536 where: short stacking energy: -306.305 Base-Backbone interact. energy: -2.080 local terms energy: -320.259609 where: bonds (distance) C4'-P energy: -56.645 bonds (distance) P-C4' energy: -58.566 flat angles C4'-P-C4' energy: -68.098 flat angles P-C4'-P energy: -49.033 tors. eta vs tors. theta energy: -87.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -943.751658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.751658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.751658 (E_RNA) where: Base-Base interactions energy: -647.282 where: short stacking energy: -297.019 Base-Backbone interact. energy: 0.286 local terms energy: -296.756052 where: bonds (distance) C4'-P energy: -45.499 bonds (distance) P-C4' energy: -65.681 flat angles C4'-P-C4' energy: -65.615 flat angles P-C4'-P energy: -37.132 tors. eta vs tors. theta energy: -82.830 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: 5 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -894.020177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.020177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.020177 (E_RNA) where: Base-Base interactions energy: -607.086 where: short stacking energy: -269.564 Base-Backbone interact. energy: -1.996 local terms energy: -284.939024 where: bonds (distance) C4'-P energy: -49.928 bonds (distance) P-C4' energy: -63.790 flat angles C4'-P-C4' energy: -61.474 flat angles P-C4'-P energy: -35.801 tors. eta vs tors. theta energy: -73.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -706.191309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.191309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.191309 (E_RNA) where: Base-Base interactions energy: -456.731 where: short stacking energy: -207.375 Base-Backbone interact. energy: -0.635 local terms energy: -248.825127 where: bonds (distance) C4'-P energy: -50.920 bonds (distance) P-C4' energy: -59.659 flat angles C4'-P-C4' energy: -61.390 flat angles P-C4'-P energy: -28.484 tors. eta vs tors. theta energy: -48.372 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: 6 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -547.923795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.923795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.923795 (E_RNA) where: Base-Base interactions energy: -327.304 where: short stacking energy: -164.466 Base-Backbone interact. energy: 0.844 local terms energy: -221.463612 where: bonds (distance) C4'-P energy: -49.677 bonds (distance) P-C4' energy: -65.173 flat angles C4'-P-C4' energy: -48.491 flat angles P-C4'-P energy: -39.662 tors. eta vs tors. theta energy: -18.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -551.862776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.862776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.862776 (E_RNA) where: Base-Base interactions energy: -312.294 where: short stacking energy: -160.517 Base-Backbone interact. energy: -0.965 local terms energy: -238.603948 where: bonds (distance) C4'-P energy: -54.143 bonds (distance) P-C4' energy: -52.388 flat angles C4'-P-C4' energy: -54.029 flat angles P-C4'-P energy: -45.664 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: 10, replica: 7 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -485.664968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.664968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.664968 (E_RNA) where: Base-Base interactions energy: -279.767 where: short stacking energy: -139.076 Base-Backbone interact. energy: -1.656 local terms energy: -204.241571 where: bonds (distance) C4'-P energy: -50.489 bonds (distance) P-C4' energy: -51.942 flat angles C4'-P-C4' energy: -53.196 flat angles P-C4'-P energy: -33.982 tors. eta vs tors. theta energy: -14.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -1183.865694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.865694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.865694 (E_RNA) where: Base-Base interactions energy: -823.140 where: short stacking energy: -349.370 Base-Backbone interact. energy: -1.254 local terms energy: -359.472026 where: bonds (distance) C4'-P energy: -57.261 bonds (distance) P-C4' energy: -70.725 flat angles C4'-P-C4' energy: -73.948 flat angles P-C4'-P energy: -53.389 tors. eta vs tors. theta energy: -104.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -1102.261941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.261941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.261941 (E_RNA) where: Base-Base interactions energy: -750.898 where: short stacking energy: -314.742 Base-Backbone interact. energy: -1.209 local terms energy: -350.155630 where: bonds (distance) C4'-P energy: -65.855 bonds (distance) P-C4' energy: -64.956 flat angles C4'-P-C4' energy: -71.741 flat angles P-C4'-P energy: -51.824 tors. eta vs tors. theta energy: -95.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -1026.294421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.294421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.294421 (E_RNA) where: Base-Base interactions energy: -690.767 where: short stacking energy: -326.755 Base-Backbone interact. energy: -1.723 local terms energy: -333.804200 where: bonds (distance) C4'-P energy: -63.670 bonds (distance) P-C4' energy: -65.110 flat angles C4'-P-C4' energy: -62.922 flat angles P-C4'-P energy: -54.114 tors. eta vs tors. theta energy: -87.987 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: 4, replica: 8 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -1057.504700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.504700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.504700 (E_RNA) where: Base-Base interactions energy: -730.032 where: short stacking energy: -300.753 Base-Backbone interact. energy: -0.687 local terms energy: -326.785538 where: bonds (distance) C4'-P energy: -53.103 bonds (distance) P-C4' energy: -68.382 flat angles C4'-P-C4' energy: -73.730 flat angles P-C4'-P energy: -43.979 tors. eta vs tors. theta energy: -87.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -915.744614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.744614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.744614 (E_RNA) where: Base-Base interactions energy: -621.513 where: short stacking energy: -281.668 Base-Backbone interact. energy: -1.310 local terms energy: -292.922266 where: bonds (distance) C4'-P energy: -47.663 bonds (distance) P-C4' energy: -61.967 flat angles C4'-P-C4' energy: -64.192 flat angles P-C4'-P energy: -42.244 tors. eta vs tors. theta energy: -76.857 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: 6, replica: 5 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -923.582189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.582189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.582189 (E_RNA) where: Base-Base interactions energy: -616.506 where: short stacking energy: -280.819 Base-Backbone interact. energy: -1.402 local terms energy: -305.673436 where: bonds (distance) C4'-P energy: -50.403 bonds (distance) P-C4' energy: -59.272 flat angles C4'-P-C4' energy: -70.853 flat angles P-C4'-P energy: -37.195 tors. eta vs tors. theta energy: -87.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -733.446737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.446737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.446737 (E_RNA) where: Base-Base interactions energy: -472.357 where: short stacking energy: -209.657 Base-Backbone interact. energy: -1.112 local terms energy: -259.977661 where: bonds (distance) C4'-P energy: -56.261 bonds (distance) P-C4' energy: -56.716 flat angles C4'-P-C4' energy: -58.733 flat angles P-C4'-P energy: -45.325 tors. eta vs tors. theta energy: -42.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -534.461861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.461861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.461861 (E_RNA) where: Base-Base interactions energy: -309.390 where: short stacking energy: -166.861 Base-Backbone interact. energy: 1.006 local terms energy: -226.077817 where: bonds (distance) C4'-P energy: -52.654 bonds (distance) P-C4' energy: -43.641 flat angles C4'-P-C4' energy: -60.706 flat angles P-C4'-P energy: -42.818 tors. eta vs tors. theta energy: -26.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -528.685016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.685016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.685016 (E_RNA) where: Base-Base interactions energy: -306.327 where: short stacking energy: -155.412 Base-Backbone interact. energy: 2.824 local terms energy: -225.182760 where: bonds (distance) C4'-P energy: -58.485 bonds (distance) P-C4' energy: -52.020 flat angles C4'-P-C4' energy: -58.272 flat angles P-C4'-P energy: -29.215 tors. eta vs tors. theta energy: -27.190 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: 7 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -481.383006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.383006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.383006 (E_RNA) where: Base-Base interactions energy: -292.519 where: short stacking energy: -130.887 Base-Backbone interact. energy: -0.863 local terms energy: -188.000644 where: bonds (distance) C4'-P energy: -52.810 bonds (distance) P-C4' energy: -45.764 flat angles C4'-P-C4' energy: -48.670 flat angles P-C4'-P energy: -25.931 tors. eta vs tors. theta energy: -14.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -1192.446787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.446787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.446787 (E_RNA) where: Base-Base interactions energy: -820.530 where: short stacking energy: -348.960 Base-Backbone interact. energy: -0.058 local terms energy: -371.858983 where: bonds (distance) C4'-P energy: -72.349 bonds (distance) P-C4' energy: -66.399 flat angles C4'-P-C4' energy: -67.933 flat angles P-C4'-P energy: -55.565 tors. eta vs tors. theta energy: -109.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -1088.439499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.439499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.439499 (E_RNA) where: Base-Base interactions energy: -760.216 where: short stacking energy: -318.108 Base-Backbone interact. energy: -0.656 local terms energy: -327.568414 where: bonds (distance) C4'-P energy: -56.841 bonds (distance) P-C4' energy: -65.467 flat angles C4'-P-C4' energy: -64.943 flat angles P-C4'-P energy: -45.970 tors. eta vs tors. theta energy: -94.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -1074.952038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.952038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.952038 (E_RNA) where: Base-Base interactions energy: -730.521 where: short stacking energy: -306.513 Base-Backbone interact. energy: -0.535 local terms energy: -343.895779 where: bonds (distance) C4'-P energy: -72.324 bonds (distance) P-C4' energy: -61.379 flat angles C4'-P-C4' energy: -67.215 flat angles P-C4'-P energy: -48.201 tors. eta vs tors. theta energy: -94.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -974.586738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.586738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.586738 (E_RNA) where: Base-Base interactions energy: -660.423 where: short stacking energy: -300.910 Base-Backbone interact. energy: -1.435 local terms energy: -312.729306 where: bonds (distance) C4'-P energy: -55.269 bonds (distance) P-C4' energy: -54.057 flat angles C4'-P-C4' energy: -71.370 flat angles P-C4'-P energy: -44.181 tors. eta vs tors. theta energy: -87.852 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: 5 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -943.708408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.708408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.708408 (E_RNA) where: Base-Base interactions energy: -656.825 where: short stacking energy: -279.831 Base-Backbone interact. energy: 1.008 local terms energy: -287.891897 where: bonds (distance) C4'-P energy: -55.633 bonds (distance) P-C4' energy: -51.033 flat angles C4'-P-C4' energy: -68.597 flat angles P-C4'-P energy: -33.266 tors. eta vs tors. theta energy: -79.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -878.353382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.353382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.353382 (E_RNA) where: Base-Base interactions energy: -601.674 where: short stacking energy: -250.375 Base-Backbone interact. energy: -1.022 local terms energy: -275.657260 where: bonds (distance) C4'-P energy: -54.436 bonds (distance) P-C4' energy: -55.865 flat angles C4'-P-C4' energy: -65.921 flat angles P-C4'-P energy: -37.875 tors. eta vs tors. theta energy: -61.560 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: 10 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -708.758284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.758284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.758284 (E_RNA) where: Base-Base interactions energy: -445.304 where: short stacking energy: -188.857 Base-Backbone interact. energy: -0.163 local terms energy: -263.290895 where: bonds (distance) C4'-P energy: -50.328 bonds (distance) P-C4' energy: -68.027 flat angles C4'-P-C4' energy: -58.244 flat angles P-C4'-P energy: -41.506 tors. eta vs tors. theta energy: -45.186 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: 8, replica: 6 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -582.230883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.230883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.230883 (E_RNA) where: Base-Base interactions energy: -332.278 where: short stacking energy: -175.774 Base-Backbone interact. energy: -0.159 local terms energy: -249.793723 where: bonds (distance) C4'-P energy: -54.221 bonds (distance) P-C4' energy: -59.582 flat angles C4'-P-C4' energy: -46.857 flat angles P-C4'-P energy: -47.590 tors. eta vs tors. theta energy: -41.544 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: 7 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -520.042915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.042915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.042915 (E_RNA) where: Base-Base interactions energy: -299.645 where: short stacking energy: -141.784 Base-Backbone interact. energy: -2.087 local terms energy: -218.310915 where: bonds (distance) C4'-P energy: -47.129 bonds (distance) P-C4' energy: -59.444 flat angles C4'-P-C4' energy: -56.795 flat angles P-C4'-P energy: -37.382 tors. eta vs tors. theta energy: -17.561 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: 10, replica: 9 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -483.867715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.867715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.867715 (E_RNA) where: Base-Base interactions energy: -271.598 where: short stacking energy: -131.744 Base-Backbone interact. energy: -0.881 local terms energy: -211.388385 where: bonds (distance) C4'-P energy: -53.268 bonds (distance) P-C4' energy: -57.672 flat angles C4'-P-C4' energy: -48.523 flat angles P-C4'-P energy: -36.570 tors. eta vs tors. theta energy: -15.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -1191.871481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.871481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.871481 (E_RNA) where: Base-Base interactions energy: -833.344 where: short stacking energy: -355.813 Base-Backbone interact. energy: -0.825 local terms energy: -357.702457 where: bonds (distance) C4'-P energy: -52.847 bonds (distance) P-C4' energy: -65.522 flat angles C4'-P-C4' energy: -73.624 flat angles P-C4'-P energy: -53.890 tors. eta vs tors. theta energy: -111.819 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: 2, replica: 3 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -1095.174462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.174462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.174462 (E_RNA) where: Base-Base interactions energy: -759.740 where: short stacking energy: -317.904 Base-Backbone interact. energy: -1.614 local terms energy: -333.820429 where: bonds (distance) C4'-P energy: -65.104 bonds (distance) P-C4' energy: -61.388 flat angles C4'-P-C4' energy: -65.789 flat angles P-C4'-P energy: -46.638 tors. eta vs tors. theta energy: -94.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -1048.125745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.125745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.125745 (E_RNA) where: Base-Base interactions energy: -743.334 where: short stacking energy: -305.531 Base-Backbone interact. energy: -0.527 local terms energy: -304.264936 where: bonds (distance) C4'-P energy: -60.748 bonds (distance) P-C4' energy: -60.022 flat angles C4'-P-C4' energy: -69.939 flat angles P-C4'-P energy: -31.303 tors. eta vs tors. theta energy: -82.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -991.315805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.315805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.315805 (E_RNA) where: Base-Base interactions energy: -678.387 where: short stacking energy: -300.669 Base-Backbone interact. energy: -1.035 local terms energy: -311.893693 where: bonds (distance) C4'-P energy: -55.823 bonds (distance) P-C4' energy: -49.600 flat angles C4'-P-C4' energy: -73.337 flat angles P-C4'-P energy: -46.254 tors. eta vs tors. theta energy: -86.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -969.399900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.399900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.399900 (E_RNA) where: Base-Base interactions energy: -681.058 where: short stacking energy: -285.837 Base-Backbone interact. energy: -0.268 local terms energy: -288.073925 where: bonds (distance) C4'-P energy: -56.496 bonds (distance) P-C4' energy: -51.911 flat angles C4'-P-C4' energy: -63.427 flat angles P-C4'-P energy: -40.223 tors. eta vs tors. theta energy: -76.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -886.290101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.290101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.290101 (E_RNA) where: Base-Base interactions energy: -582.633 where: short stacking energy: -268.746 Base-Backbone interact. energy: -0.619 local terms energy: -303.038343 where: bonds (distance) C4'-P energy: -55.429 bonds (distance) P-C4' energy: -60.259 flat angles C4'-P-C4' energy: -66.948 flat angles P-C4'-P energy: -44.593 tors. eta vs tors. theta energy: -75.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -719.329822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.329822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.329822 (E_RNA) where: Base-Base interactions energy: -470.636 where: short stacking energy: -198.743 Base-Backbone interact. energy: -2.053 local terms energy: -246.641156 where: bonds (distance) C4'-P energy: -70.054 bonds (distance) P-C4' energy: -55.095 flat angles C4'-P-C4' energy: -49.072 flat angles P-C4'-P energy: -28.331 tors. eta vs tors. theta energy: -44.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -544.742153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.742153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.742153 (E_RNA) where: Base-Base interactions energy: -318.183 where: short stacking energy: -163.278 Base-Backbone interact. energy: 2.670 local terms energy: -229.229547 where: bonds (distance) C4'-P energy: -51.566 bonds (distance) P-C4' energy: -59.075 flat angles C4'-P-C4' energy: -53.047 flat angles P-C4'-P energy: -35.501 tors. eta vs tors. theta energy: -30.041 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: 9, replica: 7 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -554.030737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.030737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.030737 (E_RNA) where: Base-Base interactions energy: -332.825 where: short stacking energy: -154.151 Base-Backbone interact. energy: 0.305 local terms energy: -221.510719 where: bonds (distance) C4'-P energy: -47.841 bonds (distance) P-C4' energy: -49.366 flat angles C4'-P-C4' energy: -62.220 flat angles P-C4'-P energy: -38.903 tors. eta vs tors. theta energy: -23.180 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: 9 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -492.390476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.390476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.390476 (E_RNA) where: Base-Base interactions energy: -300.232 where: short stacking energy: -161.243 Base-Backbone interact. energy: -0.326 local terms energy: -191.832810 where: bonds (distance) C4'-P energy: -47.025 bonds (distance) P-C4' energy: -49.560 flat angles C4'-P-C4' energy: -48.952 flat angles P-C4'-P energy: -23.855 tors. eta vs tors. theta energy: -22.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -1198.185588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.185588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.185588 (E_RNA) where: Base-Base interactions energy: -820.131 where: short stacking energy: -361.280 Base-Backbone interact. energy: -0.367 local terms energy: -377.687518 where: bonds (distance) C4'-P energy: -69.890 bonds (distance) P-C4' energy: -70.711 flat angles C4'-P-C4' energy: -73.875 flat angles P-C4'-P energy: -53.202 tors. eta vs tors. theta energy: -110.010 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: 3 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -1095.712581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.712581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.712581 (E_RNA) where: Base-Base interactions energy: -740.638 where: short stacking energy: -331.041 Base-Backbone interact. energy: -0.238 local terms energy: -354.837164 where: bonds (distance) C4'-P energy: -67.037 bonds (distance) P-C4' energy: -58.698 flat angles C4'-P-C4' energy: -78.115 flat angles P-C4'-P energy: -55.432 tors. eta vs tors. theta energy: -95.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -1070.154386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.154386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.154386 (E_RNA) where: Base-Base interactions energy: -760.030 where: short stacking energy: -309.140 Base-Backbone interact. energy: -2.165 local terms energy: -307.959134 where: bonds (distance) C4'-P energy: -48.422 bonds (distance) P-C4' energy: -55.735 flat angles C4'-P-C4' energy: -69.814 flat angles P-C4'-P energy: -44.342 tors. eta vs tors. theta energy: -89.646 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: 4, replica: 1 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -994.243959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.243959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.243959 (E_RNA) where: Base-Base interactions energy: -676.229 where: short stacking energy: -301.009 Base-Backbone interact. energy: -0.557 local terms energy: -317.458698 where: bonds (distance) C4'-P energy: -53.997 bonds (distance) P-C4' energy: -65.843 flat angles C4'-P-C4' energy: -68.724 flat angles P-C4'-P energy: -35.414 tors. eta vs tors. theta energy: -93.480 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: 326 Temperature: 1.100000 Total energy: -997.520480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.520480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.520480 (E_RNA) where: Base-Base interactions energy: -690.731 where: short stacking energy: -289.298 Base-Backbone interact. energy: -2.955 local terms energy: -303.833996 where: bonds (distance) C4'-P energy: -54.161 bonds (distance) P-C4' energy: -52.839 flat angles C4'-P-C4' energy: -68.503 flat angles P-C4'-P energy: -45.074 tors. eta vs tors. theta energy: -83.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -900.057038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.057038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.057038 (E_RNA) where: Base-Base interactions energy: -608.985 where: short stacking energy: -281.125 Base-Backbone interact. energy: 0.424 local terms energy: -291.496287 where: bonds (distance) C4'-P energy: -43.419 bonds (distance) P-C4' energy: -49.033 flat angles C4'-P-C4' energy: -73.660 flat angles P-C4'-P energy: -44.312 tors. eta vs tors. theta energy: -81.072 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: 7, replica: 10 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -744.886551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.886551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.886551 (E_RNA) where: Base-Base interactions energy: -503.797 where: short stacking energy: -225.773 Base-Backbone interact. energy: 0.411 local terms energy: -241.499943 where: bonds (distance) C4'-P energy: -53.326 bonds (distance) P-C4' energy: -54.824 flat angles C4'-P-C4' energy: -67.840 flat angles P-C4'-P energy: -23.641 tors. eta vs tors. theta energy: -41.868 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: 6 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -560.510861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.510861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.510861 (E_RNA) where: Base-Base interactions energy: -335.560 where: short stacking energy: -160.037 Base-Backbone interact. energy: -0.257 local terms energy: -224.693965 where: bonds (distance) C4'-P energy: -62.884 bonds (distance) P-C4' energy: -55.928 flat angles C4'-P-C4' energy: -52.663 flat angles P-C4'-P energy: -33.211 tors. eta vs tors. theta energy: -20.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -571.641866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.641866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.641866 (E_RNA) where: Base-Base interactions energy: -350.465 where: short stacking energy: -159.526 Base-Backbone interact. energy: -1.471 local terms energy: -219.705647 where: bonds (distance) C4'-P energy: -54.653 bonds (distance) P-C4' energy: -51.124 flat angles C4'-P-C4' energy: -50.314 flat angles P-C4'-P energy: -37.051 tors. eta vs tors. theta energy: -26.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -481.031652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.031652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.031652 (E_RNA) where: Base-Base interactions energy: -272.667 where: short stacking energy: -134.654 Base-Backbone interact. energy: 1.666 local terms energy: -210.030784 where: bonds (distance) C4'-P energy: -48.028 bonds (distance) P-C4' energy: -59.559 flat angles C4'-P-C4' energy: -43.602 flat angles P-C4'-P energy: -37.205 tors. eta vs tors. theta energy: -21.637 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: 2 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -1185.999980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.999980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.999980 (E_RNA) where: Base-Base interactions energy: -835.664 where: short stacking energy: -372.861 Base-Backbone interact. energy: -0.176 local terms energy: -350.159854 where: bonds (distance) C4'-P energy: -53.805 bonds (distance) P-C4' energy: -62.084 flat angles C4'-P-C4' energy: -71.983 flat angles P-C4'-P energy: -54.492 tors. eta vs tors. theta energy: -107.795 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: 8 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -1085.715802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.715802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.715802 (E_RNA) where: Base-Base interactions energy: -739.085 where: short stacking energy: -306.903 Base-Backbone interact. energy: -0.532 local terms energy: -346.098698 where: bonds (distance) C4'-P energy: -67.660 bonds (distance) P-C4' energy: -69.554 flat angles C4'-P-C4' energy: -67.972 flat angles P-C4'-P energy: -48.911 tors. eta vs tors. theta energy: -92.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -1076.724140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.724140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.724140 (E_RNA) where: Base-Base interactions energy: -738.465 where: short stacking energy: -321.013 Base-Backbone interact. energy: 0.018 local terms energy: -338.277389 where: bonds (distance) C4'-P energy: -67.483 bonds (distance) P-C4' energy: -62.238 flat angles C4'-P-C4' energy: -64.377 flat angles P-C4'-P energy: -45.479 tors. eta vs tors. theta energy: -98.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -1003.738605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.738605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.738605 (E_RNA) where: Base-Base interactions energy: -703.666 where: short stacking energy: -285.776 Base-Backbone interact. energy: 1.514 local terms energy: -301.586547 where: bonds (distance) C4'-P energy: -55.906 bonds (distance) P-C4' energy: -59.511 flat angles C4'-P-C4' energy: -63.022 flat angles P-C4'-P energy: -37.464 tors. eta vs tors. theta energy: -85.683 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: 5, replica: 1 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -954.034076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.034076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.034076 (E_RNA) where: Base-Base interactions energy: -640.855 where: short stacking energy: -286.820 Base-Backbone interact. energy: 0.192 local terms energy: -313.371157 where: bonds (distance) C4'-P energy: -56.247 bonds (distance) P-C4' energy: -55.861 flat angles C4'-P-C4' energy: -62.221 flat angles P-C4'-P energy: -48.601 tors. eta vs tors. theta energy: -90.442 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: 4 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -928.245751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.245751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.245751 (E_RNA) where: Base-Base interactions energy: -636.126 where: short stacking energy: -263.206 Base-Backbone interact. energy: -0.801 local terms energy: -291.319457 where: bonds (distance) C4'-P energy: -59.642 bonds (distance) P-C4' energy: -57.601 flat angles C4'-P-C4' energy: -57.711 flat angles P-C4'-P energy: -38.329 tors. eta vs tors. theta energy: -78.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -743.905497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.905497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.905497 (E_RNA) where: Base-Base interactions energy: -483.131 where: short stacking energy: -231.545 Base-Backbone interact. energy: -0.127 local terms energy: -260.647263 where: bonds (distance) C4'-P energy: -51.071 bonds (distance) P-C4' energy: -58.742 flat angles C4'-P-C4' energy: -58.450 flat angles P-C4'-P energy: -38.658 tors. eta vs tors. theta energy: -53.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -551.634326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.634326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.634326 (E_RNA) where: Base-Base interactions energy: -335.613 where: short stacking energy: -169.441 Base-Backbone interact. energy: 0.207 local terms energy: -216.228378 where: bonds (distance) C4'-P energy: -56.669 bonds (distance) P-C4' energy: -50.738 flat angles C4'-P-C4' energy: -55.919 flat angles P-C4'-P energy: -24.228 tors. eta vs tors. theta energy: -28.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -518.606116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.606116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.606116 (E_RNA) where: Base-Base interactions energy: -319.538 where: short stacking energy: -152.120 Base-Backbone interact. energy: 1.228 local terms energy: -200.296247 where: bonds (distance) C4'-P energy: -42.414 bonds (distance) P-C4' energy: -50.591 flat angles C4'-P-C4' energy: -51.162 flat angles P-C4'-P energy: -28.827 tors. eta vs tors. theta energy: -27.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -486.471669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.471669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.471669 (E_RNA) where: Base-Base interactions energy: -298.377 where: short stacking energy: -153.127 Base-Backbone interact. energy: -0.765 local terms energy: -187.329620 where: bonds (distance) C4'-P energy: -49.657 bonds (distance) P-C4' energy: -49.906 flat angles C4'-P-C4' energy: -46.597 flat angles P-C4'-P energy: -23.480 tors. eta vs tors. theta energy: -17.689 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: 2 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -1190.844925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.844925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.844925 (E_RNA) where: Base-Base interactions energy: -816.110 where: short stacking energy: -353.976 Base-Backbone interact. energy: -0.847 local terms energy: -373.888040 where: bonds (distance) C4'-P energy: -66.954 bonds (distance) P-C4' energy: -69.812 flat angles C4'-P-C4' energy: -73.720 flat angles P-C4'-P energy: -57.949 tors. eta vs tors. theta energy: -105.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -1085.925997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.925997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.925997 (E_RNA) where: Base-Base interactions energy: -739.416 where: short stacking energy: -317.213 Base-Backbone interact. energy: 1.558 local terms energy: -348.068336 where: bonds (distance) C4'-P energy: -61.063 bonds (distance) P-C4' energy: -68.042 flat angles C4'-P-C4' energy: -73.504 flat angles P-C4'-P energy: -51.022 tors. eta vs tors. theta energy: -94.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -1081.064471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.064471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.064471 (E_RNA) where: Base-Base interactions energy: -738.326 where: short stacking energy: -314.075 Base-Backbone interact. energy: -1.211 local terms energy: -341.527135 where: bonds (distance) C4'-P energy: -57.980 bonds (distance) P-C4' energy: -59.672 flat angles C4'-P-C4' energy: -72.287 flat angles P-C4'-P energy: -47.221 tors. eta vs tors. theta energy: -104.367 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: 5 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -998.148089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.148089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.148089 (E_RNA) where: Base-Base interactions energy: -692.503 where: short stacking energy: -301.536 Base-Backbone interact. energy: 6.992 local terms energy: -312.637130 where: bonds (distance) C4'-P energy: -58.650 bonds (distance) P-C4' energy: -55.541 flat angles C4'-P-C4' energy: -64.229 flat angles P-C4'-P energy: -49.588 tors. eta vs tors. theta energy: -84.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -972.694323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.694323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.694323 (E_RNA) where: Base-Base interactions energy: -652.613 where: short stacking energy: -264.923 Base-Backbone interact. energy: 2.023 local terms energy: -322.104307 where: bonds (distance) C4'-P energy: -64.229 bonds (distance) P-C4' energy: -59.800 flat angles C4'-P-C4' energy: -69.591 flat angles P-C4'-P energy: -51.607 tors. eta vs tors. theta energy: -76.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -964.743405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.743405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.743405 (E_RNA) where: Base-Base interactions energy: -647.776 where: short stacking energy: -290.854 Base-Backbone interact. energy: -1.138 local terms energy: -315.828811 where: bonds (distance) C4'-P energy: -50.809 bonds (distance) P-C4' energy: -56.987 flat angles C4'-P-C4' energy: -66.896 flat angles P-C4'-P energy: -50.163 tors. eta vs tors. theta energy: -90.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -754.885025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.885025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.885025 (E_RNA) where: Base-Base interactions energy: -499.811 where: short stacking energy: -231.200 Base-Backbone interact. energy: -1.166 local terms energy: -253.908171 where: bonds (distance) C4'-P energy: -60.652 bonds (distance) P-C4' energy: -52.182 flat angles C4'-P-C4' energy: -55.195 flat angles P-C4'-P energy: -32.592 tors. eta vs tors. theta energy: -53.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -553.693206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.693206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.693206 (E_RNA) where: Base-Base interactions energy: -322.119 where: short stacking energy: -162.811 Base-Backbone interact. energy: 1.172 local terms energy: -232.746126 where: bonds (distance) C4'-P energy: -53.103 bonds (distance) P-C4' energy: -67.511 flat angles C4'-P-C4' energy: -48.960 flat angles P-C4'-P energy: -33.532 tors. eta vs tors. theta energy: -29.640 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: 9 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -502.668745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.668745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.668745 (E_RNA) where: Base-Base interactions energy: -287.097 where: short stacking energy: -146.556 Base-Backbone interact. energy: -1.265 local terms energy: -214.306914 where: bonds (distance) C4'-P energy: -54.595 bonds (distance) P-C4' energy: -47.692 flat angles C4'-P-C4' energy: -53.253 flat angles P-C4'-P energy: -34.268 tors. eta vs tors. theta energy: -24.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -498.103071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.103071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.103071 (E_RNA) where: Base-Base interactions energy: -275.899 where: short stacking energy: -133.718 Base-Backbone interact. energy: -0.911 local terms energy: -221.292968 where: bonds (distance) C4'-P energy: -64.172 bonds (distance) P-C4' energy: -53.878 flat angles C4'-P-C4' energy: -66.764 flat angles P-C4'-P energy: -25.997 tors. eta vs tors. theta energy: -10.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -1194.313856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.313856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.313856 (E_RNA) where: Base-Base interactions energy: -832.306 where: short stacking energy: -359.700 Base-Backbone interact. energy: -0.682 local terms energy: -361.325662 where: bonds (distance) C4'-P energy: -58.610 bonds (distance) P-C4' energy: -62.120 flat angles C4'-P-C4' energy: -72.972 flat angles P-C4'-P energy: -53.521 tors. eta vs tors. theta energy: -114.103 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: 8 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -1084.863947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.863947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.863947 (E_RNA) where: Base-Base interactions energy: -744.326 where: short stacking energy: -308.501 Base-Backbone interact. energy: -0.261 local terms energy: -340.277320 where: bonds (distance) C4'-P energy: -58.314 bonds (distance) P-C4' energy: -64.177 flat angles C4'-P-C4' energy: -71.544 flat angles P-C4'-P energy: -54.064 tors. eta vs tors. theta energy: -92.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -1075.421749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.421749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.421749 (E_RNA) where: Base-Base interactions energy: -736.430 where: short stacking energy: -316.200 Base-Backbone interact. energy: 2.922 local terms energy: -341.914149 where: bonds (distance) C4'-P energy: -64.381 bonds (distance) P-C4' energy: -53.303 flat angles C4'-P-C4' energy: -70.505 flat angles P-C4'-P energy: -54.867 tors. eta vs tors. theta energy: -98.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -994.239571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.239571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.239571 (E_RNA) where: Base-Base interactions energy: -687.553 where: short stacking energy: -273.041 Base-Backbone interact. energy: -0.288 local terms energy: -306.398215 where: bonds (distance) C4'-P energy: -60.809 bonds (distance) P-C4' energy: -54.612 flat angles C4'-P-C4' energy: -67.242 flat angles P-C4'-P energy: -41.807 tors. eta vs tors. theta energy: -81.928 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: 4 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -957.740296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.740296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.740296 (E_RNA) where: Base-Base interactions energy: -646.200 where: short stacking energy: -297.721 Base-Backbone interact. energy: -0.690 local terms energy: -310.849483 where: bonds (distance) C4'-P energy: -61.932 bonds (distance) P-C4' energy: -55.202 flat angles C4'-P-C4' energy: -65.587 flat angles P-C4'-P energy: -45.903 tors. eta vs tors. theta energy: -82.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -957.630432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.630432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.630432 (E_RNA) where: Base-Base interactions energy: -651.663 where: short stacking energy: -287.626 Base-Backbone interact. energy: -1.524 local terms energy: -304.442976 where: bonds (distance) C4'-P energy: -50.154 bonds (distance) P-C4' energy: -53.499 flat angles C4'-P-C4' energy: -71.353 flat angles P-C4'-P energy: -37.245 tors. eta vs tors. theta energy: -92.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -670.499367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.499367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.499367 (E_RNA) where: Base-Base interactions energy: -413.214 where: short stacking energy: -199.022 Base-Backbone interact. energy: -0.293 local terms energy: -256.992884 where: bonds (distance) C4'-P energy: -58.929 bonds (distance) P-C4' energy: -47.899 flat angles C4'-P-C4' energy: -56.767 flat angles P-C4'-P energy: -44.628 tors. eta vs tors. theta energy: -48.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -580.910595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.910595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.910595 (E_RNA) where: Base-Base interactions energy: -366.852 where: short stacking energy: -172.240 Base-Backbone interact. energy: 3.950 local terms energy: -218.008201 where: bonds (distance) C4'-P energy: -48.747 bonds (distance) P-C4' energy: -52.158 flat angles C4'-P-C4' energy: -61.270 flat angles P-C4'-P energy: -32.214 tors. eta vs tors. theta energy: -23.618 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: 9 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -555.331733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.331733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.331733 (E_RNA) where: Base-Base interactions energy: -349.209 where: short stacking energy: -163.320 Base-Backbone interact. energy: 0.041 local terms energy: -206.163743 where: bonds (distance) C4'-P energy: -49.662 bonds (distance) P-C4' energy: -60.632 flat angles C4'-P-C4' energy: -38.869 flat angles P-C4'-P energy: -38.566 tors. eta vs tors. theta energy: -18.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -472.978487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.978487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.978487 (E_RNA) where: Base-Base interactions energy: -254.449 where: short stacking energy: -114.454 Base-Backbone interact. energy: -2.013 local terms energy: -216.516524 where: bonds (distance) C4'-P energy: -61.830 bonds (distance) P-C4' energy: -59.211 flat angles C4'-P-C4' energy: -45.937 flat angles P-C4'-P energy: -28.499 tors. eta vs tors. theta energy: -21.040 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: 1, replica: 2 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -1182.944338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.944338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.944338 (E_RNA) where: Base-Base interactions energy: -816.561 where: short stacking energy: -354.751 Base-Backbone interact. energy: -0.819 local terms energy: -365.564281 where: bonds (distance) C4'-P energy: -67.782 bonds (distance) P-C4' energy: -57.097 flat angles C4'-P-C4' energy: -74.080 flat angles P-C4'-P energy: -52.849 tors. eta vs tors. theta energy: -113.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -1101.825287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.825287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.825287 (E_RNA) where: Base-Base interactions energy: -756.387 where: short stacking energy: -339.235 Base-Backbone interact. energy: 1.123 local terms energy: -346.561812 where: bonds (distance) C4'-P energy: -66.008 bonds (distance) P-C4' energy: -64.130 flat angles C4'-P-C4' energy: -72.365 flat angles P-C4'-P energy: -51.889 tors. eta vs tors. theta energy: -92.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -1067.216740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.216740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.216740 (E_RNA) where: Base-Base interactions energy: -734.884 where: short stacking energy: -309.449 Base-Backbone interact. energy: -1.556 local terms energy: -330.776422 where: bonds (distance) C4'-P energy: -65.315 bonds (distance) P-C4' energy: -56.127 flat angles C4'-P-C4' energy: -74.530 flat angles P-C4'-P energy: -45.737 tors. eta vs tors. theta energy: -89.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -996.812494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.812494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.812494 (E_RNA) where: Base-Base interactions energy: -702.776 where: short stacking energy: -291.233 Base-Backbone interact. energy: 1.504 local terms energy: -295.540859 where: bonds (distance) C4'-P energy: -55.387 bonds (distance) P-C4' energy: -59.463 flat angles C4'-P-C4' energy: -63.476 flat angles P-C4'-P energy: -42.605 tors. eta vs tors. theta energy: -74.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -960.444451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.444451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.444451 (E_RNA) where: Base-Base interactions energy: -639.528 where: short stacking energy: -268.654 Base-Backbone interact. energy: -1.123 local terms energy: -319.793100 where: bonds (distance) C4'-P energy: -60.723 bonds (distance) P-C4' energy: -64.351 flat angles C4'-P-C4' energy: -68.666 flat angles P-C4'-P energy: -42.924 tors. eta vs tors. theta energy: -83.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -919.744010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.744010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.744010 (E_RNA) where: Base-Base interactions energy: -624.749 where: short stacking energy: -284.228 Base-Backbone interact. energy: -0.210 local terms energy: -294.784926 where: bonds (distance) C4'-P energy: -49.619 bonds (distance) P-C4' energy: -50.904 flat angles C4'-P-C4' energy: -64.583 flat angles P-C4'-P energy: -42.105 tors. eta vs tors. theta energy: -87.574 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: 10 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -792.289298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.289298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.289298 (E_RNA) where: Base-Base interactions energy: -525.825 where: short stacking energy: -218.463 Base-Backbone interact. energy: -0.998 local terms energy: -265.466689 where: bonds (distance) C4'-P energy: -58.186 bonds (distance) P-C4' energy: -59.027 flat angles C4'-P-C4' energy: -60.246 flat angles P-C4'-P energy: -31.262 tors. eta vs tors. theta energy: -56.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -590.466328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.466328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.466328 (E_RNA) where: Base-Base interactions energy: -350.290 where: short stacking energy: -173.051 Base-Backbone interact. energy: -2.018 local terms energy: -238.159139 where: bonds (distance) C4'-P energy: -53.779 bonds (distance) P-C4' energy: -49.698 flat angles C4'-P-C4' energy: -59.832 flat angles P-C4'-P energy: -35.512 tors. eta vs tors. theta energy: -39.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -570.725783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.725783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.725783 (E_RNA) where: Base-Base interactions energy: -353.231 where: short stacking energy: -161.479 Base-Backbone interact. energy: 0.155 local terms energy: -217.649880 where: bonds (distance) C4'-P energy: -47.321 bonds (distance) P-C4' energy: -48.411 flat angles C4'-P-C4' energy: -58.779 flat angles P-C4'-P energy: -37.096 tors. eta vs tors. theta energy: -26.042 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: 6 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -481.049537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.049537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.049537 (E_RNA) where: Base-Base interactions energy: -297.158 where: short stacking energy: -155.081 Base-Backbone interact. energy: 1.429 local terms energy: -185.320068 where: bonds (distance) C4'-P energy: -32.850 bonds (distance) P-C4' energy: -52.607 flat angles C4'-P-C4' energy: -42.926 flat angles P-C4'-P energy: -23.553 tors. eta vs tors. theta energy: -33.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -1189.205668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.205668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.205668 (E_RNA) where: Base-Base interactions energy: -818.089 where: short stacking energy: -362.426 Base-Backbone interact. energy: -1.824 local terms energy: -369.293543 where: bonds (distance) C4'-P energy: -61.478 bonds (distance) P-C4' energy: -61.915 flat angles C4'-P-C4' energy: -73.113 flat angles P-C4'-P energy: -55.309 tors. eta vs tors. theta energy: -117.479 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: 8 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -1092.715743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.715743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.715743 (E_RNA) where: Base-Base interactions energy: -739.093 where: short stacking energy: -314.914 Base-Backbone interact. energy: -1.567 local terms energy: -352.055155 where: bonds (distance) C4'-P energy: -67.415 bonds (distance) P-C4' energy: -64.354 flat angles C4'-P-C4' energy: -79.185 flat angles P-C4'-P energy: -41.552 tors. eta vs tors. theta energy: -99.549 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: 3 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -1067.050508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.050508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.050508 (E_RNA) where: Base-Base interactions energy: -754.520 where: short stacking energy: -304.911 Base-Backbone interact. energy: -1.082 local terms energy: -311.448185 where: bonds (distance) C4'-P energy: -58.533 bonds (distance) P-C4' energy: -48.843 flat angles C4'-P-C4' energy: -65.291 flat angles P-C4'-P energy: -44.763 tors. eta vs tors. theta energy: -94.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -988.210523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.210523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.210523 (E_RNA) where: Base-Base interactions energy: -677.783 where: short stacking energy: -294.901 Base-Backbone interact. energy: -2.555 local terms energy: -307.872259 where: bonds (distance) C4'-P energy: -57.985 bonds (distance) P-C4' energy: -66.829 flat angles C4'-P-C4' energy: -65.294 flat angles P-C4'-P energy: -42.995 tors. eta vs tors. theta energy: -74.770 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: 5, replica: 1 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -985.510008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.510008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.510008 (E_RNA) where: Base-Base interactions energy: -660.310 where: short stacking energy: -302.593 Base-Backbone interact. energy: -1.803 local terms energy: -323.397211 where: bonds (distance) C4'-P energy: -64.063 bonds (distance) P-C4' energy: -48.803 flat angles C4'-P-C4' energy: -64.243 flat angles P-C4'-P energy: -51.558 tors. eta vs tors. theta energy: -94.731 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: 331 Temperature: 1.150000 Total energy: -893.331246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.331246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.331246 (E_RNA) where: Base-Base interactions energy: -608.844 where: short stacking energy: -264.394 Base-Backbone interact. energy: 0.346 local terms energy: -284.833178 where: bonds (distance) C4'-P energy: -43.392 bonds (distance) P-C4' energy: -46.299 flat angles C4'-P-C4' energy: -66.528 flat angles P-C4'-P energy: -45.679 tors. eta vs tors. theta energy: -82.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -787.844008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.844008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.844008 (E_RNA) where: Base-Base interactions energy: -518.063 where: short stacking energy: -227.802 Base-Backbone interact. energy: -0.671 local terms energy: -269.109838 where: bonds (distance) C4'-P energy: -66.286 bonds (distance) P-C4' energy: -56.934 flat angles C4'-P-C4' energy: -60.177 flat angles P-C4'-P energy: -32.683 tors. eta vs tors. theta energy: -53.031 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: 7 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -578.369549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.369549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.369549 (E_RNA) where: Base-Base interactions energy: -339.066 where: short stacking energy: -176.712 Base-Backbone interact. energy: -0.280 local terms energy: -239.023560 where: bonds (distance) C4'-P energy: -55.229 bonds (distance) P-C4' energy: -67.361 flat angles C4'-P-C4' energy: -52.141 flat angles P-C4'-P energy: -32.560 tors. eta vs tors. theta energy: -31.732 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: 9 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -552.289584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.289584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.289584 (E_RNA) where: Base-Base interactions energy: -323.408 where: short stacking energy: -155.203 Base-Backbone interact. energy: -1.425 local terms energy: -227.456523 where: bonds (distance) C4'-P energy: -57.451 bonds (distance) P-C4' energy: -50.381 flat angles C4'-P-C4' energy: -57.647 flat angles P-C4'-P energy: -31.327 tors. eta vs tors. theta energy: -30.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -484.299795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.299795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.299795 (E_RNA) where: Base-Base interactions energy: -285.695 where: short stacking energy: -143.381 Base-Backbone interact. energy: -1.958 local terms energy: -196.647396 where: bonds (distance) C4'-P energy: -47.023 bonds (distance) P-C4' energy: -56.133 flat angles C4'-P-C4' energy: -44.236 flat angles P-C4'-P energy: -32.313 tors. eta vs tors. theta energy: -16.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -1183.781425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.781425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.781425 (E_RNA) where: Base-Base interactions energy: -819.681 where: short stacking energy: -344.587 Base-Backbone interact. energy: -0.694 local terms energy: -363.407200 where: bonds (distance) C4'-P energy: -67.170 bonds (distance) P-C4' energy: -67.656 flat angles C4'-P-C4' energy: -72.585 flat angles P-C4'-P energy: -46.072 tors. eta vs tors. theta energy: -109.924 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: 2, replica: 8 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -1095.122398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.122398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.122398 (E_RNA) where: Base-Base interactions energy: -765.239 where: short stacking energy: -333.515 Base-Backbone interact. energy: 1.045 local terms energy: -330.928608 where: bonds (distance) C4'-P energy: -53.175 bonds (distance) P-C4' energy: -65.485 flat angles C4'-P-C4' energy: -68.081 flat angles P-C4'-P energy: -50.465 tors. eta vs tors. theta energy: -93.723 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: 3 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -1055.103129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.103129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.103129 (E_RNA) where: Base-Base interactions energy: -725.042 where: short stacking energy: -312.992 Base-Backbone interact. energy: 0.530 local terms energy: -330.591200 where: bonds (distance) C4'-P energy: -58.712 bonds (distance) P-C4' energy: -64.105 flat angles C4'-P-C4' energy: -67.962 flat angles P-C4'-P energy: -43.991 tors. eta vs tors. theta energy: -95.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -991.898605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.898605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.898605 (E_RNA) where: Base-Base interactions energy: -711.246 where: short stacking energy: -301.867 Base-Backbone interact. energy: -0.922 local terms energy: -279.730990 where: bonds (distance) C4'-P energy: -44.385 bonds (distance) P-C4' energy: -53.557 flat angles C4'-P-C4' energy: -64.021 flat angles P-C4'-P energy: -36.245 tors. eta vs tors. theta energy: -81.522 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: 1 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -942.142553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.142553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.142553 (E_RNA) where: Base-Base interactions energy: -619.235 where: short stacking energy: -267.864 Base-Backbone interact. energy: -0.851 local terms energy: -322.057042 where: bonds (distance) C4'-P energy: -50.249 bonds (distance) P-C4' energy: -70.805 flat angles C4'-P-C4' energy: -65.218 flat angles P-C4'-P energy: -47.929 tors. eta vs tors. theta energy: -87.857 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: 6, replica: 4 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -878.517131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.517131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.517131 (E_RNA) where: Base-Base interactions energy: -582.852 where: short stacking energy: -269.270 Base-Backbone interact. energy: -1.101 local terms energy: -294.564546 where: bonds (distance) C4'-P energy: -56.378 bonds (distance) P-C4' energy: -53.226 flat angles C4'-P-C4' energy: -58.893 flat angles P-C4'-P energy: -53.623 tors. eta vs tors. theta energy: -72.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -720.126965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.126965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.126965 (E_RNA) where: Base-Base interactions energy: -473.003 where: short stacking energy: -213.955 Base-Backbone interact. energy: -0.873 local terms energy: -246.250319 where: bonds (distance) C4'-P energy: -56.561 bonds (distance) P-C4' energy: -58.980 flat angles C4'-P-C4' energy: -56.358 flat angles P-C4'-P energy: -28.812 tors. eta vs tors. theta energy: -45.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -621.744830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.744830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.744830 (E_RNA) where: Base-Base interactions energy: -364.648 where: short stacking energy: -178.855 Base-Backbone interact. energy: 1.022 local terms energy: -258.118789 where: bonds (distance) C4'-P energy: -49.412 bonds (distance) P-C4' energy: -52.372 flat angles C4'-P-C4' energy: -60.140 flat angles P-C4'-P energy: -48.059 tors. eta vs tors. theta energy: -48.136 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: 9 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -546.658940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.658940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.658940 (E_RNA) where: Base-Base interactions energy: -309.576 where: short stacking energy: -145.999 Base-Backbone interact. energy: 1.388 local terms energy: -238.470682 where: bonds (distance) C4'-P energy: -46.587 bonds (distance) P-C4' energy: -60.215 flat angles C4'-P-C4' energy: -68.708 flat angles P-C4'-P energy: -36.380 tors. eta vs tors. theta energy: -26.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -483.925301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.925301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.925301 (E_RNA) where: Base-Base interactions energy: -273.888 where: short stacking energy: -143.974 Base-Backbone interact. energy: 0.074 local terms energy: -210.111090 where: bonds (distance) C4'-P energy: -48.684 bonds (distance) P-C4' energy: -53.677 flat angles C4'-P-C4' energy: -55.677 flat angles P-C4'-P energy: -24.911 tors. eta vs tors. theta energy: -27.162 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: 2 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -1174.813284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.813284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.813284 (E_RNA) where: Base-Base interactions energy: -802.674 where: short stacking energy: -339.243 Base-Backbone interact. energy: -0.409 local terms energy: -371.729762 where: bonds (distance) C4'-P energy: -70.361 bonds (distance) P-C4' energy: -65.528 flat angles C4'-P-C4' energy: -79.310 flat angles P-C4'-P energy: -48.708 tors. eta vs tors. theta energy: -107.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -1104.105897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.105897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.105897 (E_RNA) where: Base-Base interactions energy: -765.068 where: short stacking energy: -327.320 Base-Backbone interact. energy: -0.430 local terms energy: -338.607881 where: bonds (distance) C4'-P energy: -64.878 bonds (distance) P-C4' energy: -56.900 flat angles C4'-P-C4' energy: -72.093 flat angles P-C4'-P energy: -44.267 tors. eta vs tors. theta energy: -100.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -1069.805310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.805310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.805310 (E_RNA) where: Base-Base interactions energy: -738.414 where: short stacking energy: -316.965 Base-Backbone interact. energy: -2.429 local terms energy: -328.962364 where: bonds (distance) C4'-P energy: -62.712 bonds (distance) P-C4' energy: -54.466 flat angles C4'-P-C4' energy: -67.633 flat angles P-C4'-P energy: -48.911 tors. eta vs tors. theta energy: -95.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -1001.750458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.750458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.750458 (E_RNA) where: Base-Base interactions energy: -683.605 where: short stacking energy: -297.393 Base-Backbone interact. energy: -2.682 local terms energy: -315.463131 where: bonds (distance) C4'-P energy: -55.289 bonds (distance) P-C4' energy: -59.119 flat angles C4'-P-C4' energy: -69.467 flat angles P-C4'-P energy: -42.125 tors. eta vs tors. theta energy: -89.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -964.012286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.012286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.012286 (E_RNA) where: Base-Base interactions energy: -649.056 where: short stacking energy: -280.174 Base-Backbone interact. energy: -0.174 local terms energy: -314.781834 where: bonds (distance) C4'-P energy: -60.702 bonds (distance) P-C4' energy: -57.763 flat angles C4'-P-C4' energy: -69.445 flat angles P-C4'-P energy: -43.402 tors. eta vs tors. theta energy: -83.470 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: 6, replica: 4 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -858.500467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.500467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.500467 (E_RNA) where: Base-Base interactions energy: -572.385 where: short stacking energy: -262.554 Base-Backbone interact. energy: 0.623 local terms energy: -286.738123 where: bonds (distance) C4'-P energy: -54.206 bonds (distance) P-C4' energy: -56.915 flat angles C4'-P-C4' energy: -61.085 flat angles P-C4'-P energy: -36.962 tors. eta vs tors. theta energy: -77.570 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: 7, replica: 10 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -759.824453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.824453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.824453 (E_RNA) where: Base-Base interactions energy: -479.867 where: short stacking energy: -215.761 Base-Backbone interact. energy: -0.074 local terms energy: -279.884163 where: bonds (distance) C4'-P energy: -49.314 bonds (distance) P-C4' energy: -66.666 flat angles C4'-P-C4' energy: -64.687 flat angles P-C4'-P energy: -42.284 tors. eta vs tors. theta energy: -56.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -585.358826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.358826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.358826 (E_RNA) where: Base-Base interactions energy: -356.283 where: short stacking energy: -157.700 Base-Backbone interact. energy: -0.061 local terms energy: -229.015079 where: bonds (distance) C4'-P energy: -54.658 bonds (distance) P-C4' energy: -56.150 flat angles C4'-P-C4' energy: -52.519 flat angles P-C4'-P energy: -36.697 tors. eta vs tors. theta energy: -28.992 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: 9, replica: 9 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -507.258293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.258293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.258293 (E_RNA) where: Base-Base interactions energy: -301.166 where: short stacking energy: -147.643 Base-Backbone interact. energy: -0.515 local terms energy: -205.577608 where: bonds (distance) C4'-P energy: -54.625 bonds (distance) P-C4' energy: -53.369 flat angles C4'-P-C4' energy: -51.339 flat angles P-C4'-P energy: -30.128 tors. eta vs tors. theta energy: -16.116 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: 6 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -498.442939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.442939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.442939 (E_RNA) where: Base-Base interactions energy: -271.169 where: short stacking energy: -146.480 Base-Backbone interact. energy: -1.024 local terms energy: -226.249959 where: bonds (distance) C4'-P energy: -53.696 bonds (distance) P-C4' energy: -53.197 flat angles C4'-P-C4' energy: -59.618 flat angles P-C4'-P energy: -31.691 tors. eta vs tors. theta energy: -28.049 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: 2 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -1188.402074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.402074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.402074 (E_RNA) where: Base-Base interactions energy: -822.115 where: short stacking energy: -358.109 Base-Backbone interact. energy: -0.512 local terms energy: -365.774861 where: bonds (distance) C4'-P energy: -61.242 bonds (distance) P-C4' energy: -64.435 flat angles C4'-P-C4' energy: -76.964 flat angles P-C4'-P energy: -51.426 tors. eta vs tors. theta energy: -111.707 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: 8 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -1114.138381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.138381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.138381 (E_RNA) where: Base-Base interactions energy: -763.892 where: short stacking energy: -307.280 Base-Backbone interact. energy: -1.522 local terms energy: -348.724601 where: bonds (distance) C4'-P energy: -61.569 bonds (distance) P-C4' energy: -59.132 flat angles C4'-P-C4' energy: -74.071 flat angles P-C4'-P energy: -55.708 tors. eta vs tors. theta energy: -98.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -1083.176982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.176982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.176982 (E_RNA) where: Base-Base interactions energy: -756.022 where: short stacking energy: -320.979 Base-Backbone interact. energy: -0.491 local terms energy: -326.664434 where: bonds (distance) C4'-P energy: -58.792 bonds (distance) P-C4' energy: -63.486 flat angles C4'-P-C4' energy: -67.178 flat angles P-C4'-P energy: -43.005 tors. eta vs tors. theta energy: -94.203 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: 5 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -1004.135697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.135697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.135697 (E_RNA) where: Base-Base interactions energy: -679.524 where: short stacking energy: -299.844 Base-Backbone interact. energy: -0.988 local terms energy: -323.623701 where: bonds (distance) C4'-P energy: -62.716 bonds (distance) P-C4' energy: -72.584 flat angles C4'-P-C4' energy: -65.144 flat angles P-C4'-P energy: -39.280 tors. eta vs tors. theta energy: -83.899 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: 5, replica: 1 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -957.484367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.484367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.484367 (E_RNA) where: Base-Base interactions energy: -650.023 where: short stacking energy: -281.467 Base-Backbone interact. energy: -0.447 local terms energy: -307.014695 where: bonds (distance) C4'-P energy: -63.821 bonds (distance) P-C4' energy: -51.187 flat angles C4'-P-C4' energy: -57.753 flat angles P-C4'-P energy: -51.108 tors. eta vs tors. theta energy: -83.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -880.144656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.144656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.144656 (E_RNA) where: Base-Base interactions energy: -597.585 where: short stacking energy: -268.682 Base-Backbone interact. energy: -1.584 local terms energy: -280.975878 where: bonds (distance) C4'-P energy: -51.773 bonds (distance) P-C4' energy: -52.031 flat angles C4'-P-C4' energy: -67.609 flat angles P-C4'-P energy: -32.365 tors. eta vs tors. theta energy: -77.198 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: 10 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -796.913532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.913532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.913532 (E_RNA) where: Base-Base interactions energy: -526.938 where: short stacking energy: -224.868 Base-Backbone interact. energy: 0.583 local terms energy: -270.559234 where: bonds (distance) C4'-P energy: -46.827 bonds (distance) P-C4' energy: -61.346 flat angles C4'-P-C4' energy: -65.354 flat angles P-C4'-P energy: -44.274 tors. eta vs tors. theta energy: -52.758 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: 7 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -603.124887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.124887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.124887 (E_RNA) where: Base-Base interactions energy: -370.688 where: short stacking energy: -179.033 Base-Backbone interact. energy: -1.305 local terms energy: -231.132370 where: bonds (distance) C4'-P energy: -39.867 bonds (distance) P-C4' energy: -59.285 flat angles C4'-P-C4' energy: -63.630 flat angles P-C4'-P energy: -29.028 tors. eta vs tors. theta energy: -39.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -540.854274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.854274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.854274 (E_RNA) where: Base-Base interactions energy: -325.844 where: short stacking energy: -152.535 Base-Backbone interact. energy: -0.905 local terms energy: -214.104742 where: bonds (distance) C4'-P energy: -55.143 bonds (distance) P-C4' energy: -51.304 flat angles C4'-P-C4' energy: -49.858 flat angles P-C4'-P energy: -31.585 tors. eta vs tors. theta energy: -26.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -530.248094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.248094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.248094 (E_RNA) where: Base-Base interactions energy: -310.147 where: short stacking energy: -145.352 Base-Backbone interact. energy: -1.100 local terms energy: -219.001477 where: bonds (distance) C4'-P energy: -45.742 bonds (distance) P-C4' energy: -46.488 flat angles C4'-P-C4' energy: -66.485 flat angles P-C4'-P energy: -35.236 tors. eta vs tors. theta energy: -25.050 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: 1, replica: 2 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -1184.433933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.433933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.433933 (E_RNA) where: Base-Base interactions energy: -819.388 where: short stacking energy: -351.443 Base-Backbone interact. energy: -0.239 local terms energy: -364.806949 where: bonds (distance) C4'-P energy: -58.893 bonds (distance) P-C4' energy: -62.304 flat angles C4'-P-C4' energy: -79.802 flat angles P-C4'-P energy: -53.657 tors. eta vs tors. theta energy: -110.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -1105.609860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.609860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.609860 (E_RNA) where: Base-Base interactions energy: -761.332 where: short stacking energy: -322.239 Base-Backbone interact. energy: -1.577 local terms energy: -342.701069 where: bonds (distance) C4'-P energy: -61.647 bonds (distance) P-C4' energy: -67.195 flat angles C4'-P-C4' energy: -66.128 flat angles P-C4'-P energy: -48.933 tors. eta vs tors. theta energy: -98.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -1074.940577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.940577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.940577 (E_RNA) where: Base-Base interactions energy: -739.410 where: short stacking energy: -313.616 Base-Backbone interact. energy: -0.540 local terms energy: -334.990595 where: bonds (distance) C4'-P energy: -58.717 bonds (distance) P-C4' energy: -63.589 flat angles C4'-P-C4' energy: -72.845 flat angles P-C4'-P energy: -45.619 tors. eta vs tors. theta energy: -94.220 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: 5 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -1015.985383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.985383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.985383 (E_RNA) where: Base-Base interactions energy: -694.833 where: short stacking energy: -310.973 Base-Backbone interact. energy: 0.049 local terms energy: -321.201624 where: bonds (distance) C4'-P energy: -48.191 bonds (distance) P-C4' energy: -64.208 flat angles C4'-P-C4' energy: -66.035 flat angles P-C4'-P energy: -47.780 tors. eta vs tors. theta energy: -94.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -967.872272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.872272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.872272 (E_RNA) where: Base-Base interactions energy: -645.625 where: short stacking energy: -276.293 Base-Backbone interact. energy: -1.214 local terms energy: -321.032759 where: bonds (distance) C4'-P energy: -59.353 bonds (distance) P-C4' energy: -63.321 flat angles C4'-P-C4' energy: -63.993 flat angles P-C4'-P energy: -45.442 tors. eta vs tors. theta energy: -88.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -880.090763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.090763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.090763 (E_RNA) where: Base-Base interactions energy: -578.739 where: short stacking energy: -266.081 Base-Backbone interact. energy: -1.200 local terms energy: -300.151591 where: bonds (distance) C4'-P energy: -56.521 bonds (distance) P-C4' energy: -60.408 flat angles C4'-P-C4' energy: -62.735 flat angles P-C4'-P energy: -46.167 tors. eta vs tors. theta energy: -74.321 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: 7, replica: 10 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -723.179776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.179776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.179776 (E_RNA) where: Base-Base interactions energy: -462.507 where: short stacking energy: -217.382 Base-Backbone interact. energy: -0.785 local terms energy: -259.887573 where: bonds (distance) C4'-P energy: -54.171 bonds (distance) P-C4' energy: -59.569 flat angles C4'-P-C4' energy: -61.573 flat angles P-C4'-P energy: -40.287 tors. eta vs tors. theta energy: -44.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -645.205824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.205824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.205824 (E_RNA) where: Base-Base interactions energy: -415.896 where: short stacking energy: -180.654 Base-Backbone interact. energy: -1.144 local terms energy: -228.165286 where: bonds (distance) C4'-P energy: -57.009 bonds (distance) P-C4' energy: -51.732 flat angles C4'-P-C4' energy: -50.781 flat angles P-C4'-P energy: -35.910 tors. eta vs tors. theta energy: -32.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -567.863778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.863778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.863778 (E_RNA) where: Base-Base interactions energy: -350.786 where: short stacking energy: -157.746 Base-Backbone interact. energy: 0.912 local terms energy: -217.989431 where: bonds (distance) C4'-P energy: -54.622 bonds (distance) P-C4' energy: -45.357 flat angles C4'-P-C4' energy: -59.087 flat angles P-C4'-P energy: -35.550 tors. eta vs tors. theta energy: -23.373 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: 9 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -507.385938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.385938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.385938 (E_RNA) where: Base-Base interactions energy: -275.790 where: short stacking energy: -130.453 Base-Backbone interact. energy: -1.708 local terms energy: -229.888161 where: bonds (distance) C4'-P energy: -60.405 bonds (distance) P-C4' energy: -60.501 flat angles C4'-P-C4' energy: -42.790 flat angles P-C4'-P energy: -36.748 tors. eta vs tors. theta energy: -29.443 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: 2 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -1211.312411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.312411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.312411 (E_RNA) where: Base-Base interactions energy: -833.635 where: short stacking energy: -369.524 Base-Backbone interact. energy: 0.367 local terms energy: -378.044513 where: bonds (distance) C4'-P energy: -64.130 bonds (distance) P-C4' energy: -66.244 flat angles C4'-P-C4' energy: -71.968 flat angles P-C4'-P energy: -61.033 tors. eta vs tors. theta energy: -114.669 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: 8 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -1113.552207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.552207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.552207 (E_RNA) where: Base-Base interactions energy: -775.507 where: short stacking energy: -331.952 Base-Backbone interact. energy: -0.984 local terms energy: -337.060995 where: bonds (distance) C4'-P energy: -60.479 bonds (distance) P-C4' energy: -69.471 flat angles C4'-P-C4' energy: -60.528 flat angles P-C4'-P energy: -49.758 tors. eta vs tors. theta energy: -96.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -1082.473699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.473699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.473699 (E_RNA) where: Base-Base interactions energy: -742.301 where: short stacking energy: -329.628 Base-Backbone interact. energy: -3.151 local terms energy: -337.022048 where: bonds (distance) C4'-P energy: -58.861 bonds (distance) P-C4' energy: -55.462 flat angles C4'-P-C4' energy: -71.031 flat angles P-C4'-P energy: -52.856 tors. eta vs tors. theta energy: -98.812 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: 4, replica: 5 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -979.863132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.863132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.863132 (E_RNA) where: Base-Base interactions energy: -650.261 where: short stacking energy: -292.112 Base-Backbone interact. energy: -1.432 local terms energy: -328.170701 where: bonds (distance) C4'-P energy: -59.715 bonds (distance) P-C4' energy: -61.333 flat angles C4'-P-C4' energy: -71.840 flat angles P-C4'-P energy: -45.888 tors. eta vs tors. theta energy: -89.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -985.275159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.275159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.275159 (E_RNA) where: Base-Base interactions energy: -668.198 where: short stacking energy: -288.642 Base-Backbone interact. energy: -1.858 local terms energy: -315.218541 where: bonds (distance) C4'-P energy: -57.501 bonds (distance) P-C4' energy: -64.957 flat angles C4'-P-C4' energy: -62.670 flat angles P-C4'-P energy: -41.588 tors. eta vs tors. theta energy: -88.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -833.971135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.971135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.971135 (E_RNA) where: Base-Base interactions energy: -554.435 where: short stacking energy: -254.680 Base-Backbone interact. energy: -0.482 local terms energy: -279.054618 where: bonds (distance) C4'-P energy: -50.138 bonds (distance) P-C4' energy: -68.034 flat angles C4'-P-C4' energy: -53.874 flat angles P-C4'-P energy: -40.369 tors. eta vs tors. theta energy: -66.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -736.879019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.879019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.879019 (E_RNA) where: Base-Base interactions energy: -470.791 where: short stacking energy: -225.777 Base-Backbone interact. energy: -1.568 local terms energy: -264.519261 where: bonds (distance) C4'-P energy: -39.211 bonds (distance) P-C4' energy: -55.832 flat angles C4'-P-C4' energy: -59.158 flat angles P-C4'-P energy: -44.146 tors. eta vs tors. theta energy: -66.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -599.911849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.911849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.911849 (E_RNA) where: Base-Base interactions energy: -375.950 where: short stacking energy: -180.767 Base-Backbone interact. energy: 1.748 local terms energy: -225.710276 where: bonds (distance) C4'-P energy: -49.580 bonds (distance) P-C4' energy: -50.031 flat angles C4'-P-C4' energy: -60.643 flat angles P-C4'-P energy: -29.629 tors. eta vs tors. theta energy: -35.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -533.608373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.608373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.608373 (E_RNA) where: Base-Base interactions energy: -311.082 where: short stacking energy: -146.717 Base-Backbone interact. energy: 1.131 local terms energy: -223.657440 where: bonds (distance) C4'-P energy: -54.070 bonds (distance) P-C4' energy: -57.673 flat angles C4'-P-C4' energy: -61.107 flat angles P-C4'-P energy: -25.558 tors. eta vs tors. theta energy: -25.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -519.171703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.171703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.171703 (E_RNA) where: Base-Base interactions energy: -340.459 where: short stacking energy: -172.050 Base-Backbone interact. energy: 1.853 local terms energy: -180.566123 where: bonds (distance) C4'-P energy: -33.491 bonds (distance) P-C4' energy: -41.496 flat angles C4'-P-C4' energy: -64.308 flat angles P-C4'-P energy: -16.443 tors. eta vs tors. theta energy: -24.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -1187.151188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.151188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.151188 (E_RNA) where: Base-Base interactions energy: -815.853 where: short stacking energy: -353.394 Base-Backbone interact. energy: 0.764 local terms energy: -372.062766 where: bonds (distance) C4'-P energy: -60.450 bonds (distance) P-C4' energy: -68.086 flat angles C4'-P-C4' energy: -75.990 flat angles P-C4'-P energy: -55.472 tors. eta vs tors. theta energy: -112.065 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: 8 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -1088.331162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.331162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.331162 (E_RNA) where: Base-Base interactions energy: -743.517 where: short stacking energy: -306.039 Base-Backbone interact. energy: -1.621 local terms energy: -343.193080 where: bonds (distance) C4'-P energy: -60.606 bonds (distance) P-C4' energy: -63.591 flat angles C4'-P-C4' energy: -73.893 flat angles P-C4'-P energy: -47.780 tors. eta vs tors. theta energy: -97.323 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: 3 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -1087.959989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.959989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.959989 (E_RNA) where: Base-Base interactions energy: -747.957 where: short stacking energy: -323.018 Base-Backbone interact. energy: -0.692 local terms energy: -339.310892 where: bonds (distance) C4'-P energy: -65.744 bonds (distance) P-C4' energy: -62.048 flat angles C4'-P-C4' energy: -68.475 flat angles P-C4'-P energy: -52.221 tors. eta vs tors. theta energy: -90.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -1007.269124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.269124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.269124 (E_RNA) where: Base-Base interactions energy: -670.964 where: short stacking energy: -288.190 Base-Backbone interact. energy: -1.732 local terms energy: -334.573119 where: bonds (distance) C4'-P energy: -59.667 bonds (distance) P-C4' energy: -64.602 flat angles C4'-P-C4' energy: -63.324 flat angles P-C4'-P energy: -52.661 tors. eta vs tors. theta energy: -94.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -971.011288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.011288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.011288 (E_RNA) where: Base-Base interactions energy: -668.191 where: short stacking energy: -296.833 Base-Backbone interact. energy: -2.312 local terms energy: -300.507864 where: bonds (distance) C4'-P energy: -40.379 bonds (distance) P-C4' energy: -57.859 flat angles C4'-P-C4' energy: -70.050 flat angles P-C4'-P energy: -42.200 tors. eta vs tors. theta energy: -90.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -849.225028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.225028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.225028 (E_RNA) where: Base-Base interactions energy: -578.806 where: short stacking energy: -253.346 Base-Backbone interact. energy: -1.161 local terms energy: -269.258557 where: bonds (distance) C4'-P energy: -55.101 bonds (distance) P-C4' energy: -60.548 flat angles C4'-P-C4' energy: -55.150 flat angles P-C4'-P energy: -43.776 tors. eta vs tors. theta energy: -54.683 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: 10 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -709.751863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.751863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.751863 (E_RNA) where: Base-Base interactions energy: -445.922 where: short stacking energy: -199.064 Base-Backbone interact. energy: -1.700 local terms energy: -262.129436 where: bonds (distance) C4'-P energy: -49.195 bonds (distance) P-C4' energy: -63.438 flat angles C4'-P-C4' energy: -61.456 flat angles P-C4'-P energy: -38.300 tors. eta vs tors. theta energy: -49.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -604.389031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.389031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.389031 (E_RNA) where: Base-Base interactions energy: -358.137 where: short stacking energy: -176.913 Base-Backbone interact. energy: 2.280 local terms energy: -248.531798 where: bonds (distance) C4'-P energy: -49.295 bonds (distance) P-C4' energy: -63.025 flat angles C4'-P-C4' energy: -62.924 flat angles P-C4'-P energy: -34.020 tors. eta vs tors. theta energy: -39.269 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: 9 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -504.138927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.138927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.138927 (E_RNA) where: Base-Base interactions energy: -281.016 where: short stacking energy: -134.675 Base-Backbone interact. energy: -1.229 local terms energy: -221.894301 where: bonds (distance) C4'-P energy: -47.307 bonds (distance) P-C4' energy: -57.819 flat angles C4'-P-C4' energy: -58.576 flat angles P-C4'-P energy: -33.294 tors. eta vs tors. theta energy: -24.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -524.520815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.520815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.520815 (E_RNA) where: Base-Base interactions energy: -303.253 where: short stacking energy: -150.271 Base-Backbone interact. energy: 2.562 local terms energy: -223.830253 where: bonds (distance) C4'-P energy: -54.164 bonds (distance) P-C4' energy: -43.627 flat angles C4'-P-C4' energy: -61.889 flat angles P-C4'-P energy: -37.185 tors. eta vs tors. theta energy: -26.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -1191.592848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.592848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.592848 (E_RNA) where: Base-Base interactions energy: -821.156 where: short stacking energy: -357.591 Base-Backbone interact. energy: -0.864 local terms energy: -369.573475 where: bonds (distance) C4'-P energy: -63.975 bonds (distance) P-C4' energy: -67.059 flat angles C4'-P-C4' energy: -72.451 flat angles P-C4'-P energy: -52.783 tors. eta vs tors. theta energy: -113.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -1109.551872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.551872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.551872 (E_RNA) where: Base-Base interactions energy: -785.457 where: short stacking energy: -316.551 Base-Backbone interact. energy: 5.086 local terms energy: -329.180615 where: bonds (distance) C4'-P energy: -66.562 bonds (distance) P-C4' energy: -57.116 flat angles C4'-P-C4' energy: -72.776 flat angles P-C4'-P energy: -43.375 tors. eta vs tors. theta energy: -89.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -1096.123089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.123089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.123089 (E_RNA) where: Base-Base interactions energy: -757.028 where: short stacking energy: -326.531 Base-Backbone interact. energy: -1.261 local terms energy: -337.833923 where: bonds (distance) C4'-P energy: -62.380 bonds (distance) P-C4' energy: -61.236 flat angles C4'-P-C4' energy: -68.641 flat angles P-C4'-P energy: -44.164 tors. eta vs tors. theta energy: -101.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -1021.604890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.604890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.604890 (E_RNA) where: Base-Base interactions energy: -696.471 where: short stacking energy: -307.005 Base-Backbone interact. energy: -1.052 local terms energy: -324.081835 where: bonds (distance) C4'-P energy: -52.108 bonds (distance) P-C4' energy: -62.260 flat angles C4'-P-C4' energy: -68.112 flat angles P-C4'-P energy: -46.952 tors. eta vs tors. theta energy: -94.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -965.274435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.274435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.274435 (E_RNA) where: Base-Base interactions energy: -659.002 where: short stacking energy: -285.191 Base-Backbone interact. energy: -2.756 local terms energy: -303.516729 where: bonds (distance) C4'-P energy: -53.161 bonds (distance) P-C4' energy: -59.373 flat angles C4'-P-C4' energy: -72.211 flat angles P-C4'-P energy: -38.464 tors. eta vs tors. theta energy: -80.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -814.259060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.259060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.259060 (E_RNA) where: Base-Base interactions energy: -542.173 where: short stacking energy: -220.680 Base-Backbone interact. energy: -1.160 local terms energy: -270.926600 where: bonds (distance) C4'-P energy: -62.195 bonds (distance) P-C4' energy: -52.136 flat angles C4'-P-C4' energy: -67.293 flat angles P-C4'-P energy: -26.203 tors. eta vs tors. theta energy: -63.100 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: 10 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -720.905859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.905859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.905859 (E_RNA) where: Base-Base interactions energy: -454.953 where: short stacking energy: -205.882 Base-Backbone interact. energy: -0.903 local terms energy: -265.050096 where: bonds (distance) C4'-P energy: -55.522 bonds (distance) P-C4' energy: -54.181 flat angles C4'-P-C4' energy: -61.158 flat angles P-C4'-P energy: -46.475 tors. eta vs tors. theta energy: -47.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -633.068559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.068559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.068559 (E_RNA) where: Base-Base interactions energy: -391.505 where: short stacking energy: -212.669 Base-Backbone interact. energy: -0.418 local terms energy: -241.144807 where: bonds (distance) C4'-P energy: -50.990 bonds (distance) P-C4' energy: -48.003 flat angles C4'-P-C4' energy: -59.429 flat angles P-C4'-P energy: -32.116 tors. eta vs tors. theta energy: -50.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -515.582863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.582863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.582863 (E_RNA) where: Base-Base interactions energy: -308.246 where: short stacking energy: -149.292 Base-Backbone interact. energy: -0.648 local terms energy: -206.688552 where: bonds (distance) C4'-P energy: -46.473 bonds (distance) P-C4' energy: -47.691 flat angles C4'-P-C4' energy: -56.764 flat angles P-C4'-P energy: -34.803 tors. eta vs tors. theta energy: -20.958 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: 10, replica: 9 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -471.841842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.841842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.841842 (E_RNA) where: Base-Base interactions energy: -267.939 where: short stacking energy: -138.272 Base-Backbone interact. energy: 0.594 local terms energy: -204.497062 where: bonds (distance) C4'-P energy: -45.478 bonds (distance) P-C4' energy: -62.571 flat angles C4'-P-C4' energy: -49.512 flat angles P-C4'-P energy: -24.172 tors. eta vs tors. theta energy: -22.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -1186.215764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.215764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.215764 (E_RNA) where: Base-Base interactions energy: -811.370 where: short stacking energy: -361.897 Base-Backbone interact. energy: -2.497 local terms energy: -372.348417 where: bonds (distance) C4'-P energy: -69.435 bonds (distance) P-C4' energy: -60.881 flat angles C4'-P-C4' energy: -77.289 flat angles P-C4'-P energy: -53.770 tors. eta vs tors. theta energy: -110.973 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: 8 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -1125.138445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.138445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.138445 (E_RNA) where: Base-Base interactions energy: -774.585 where: short stacking energy: -319.708 Base-Backbone interact. energy: -2.191 local terms energy: -348.362802 where: bonds (distance) C4'-P energy: -68.168 bonds (distance) P-C4' energy: -59.106 flat angles C4'-P-C4' energy: -75.078 flat angles P-C4'-P energy: -46.568 tors. eta vs tors. theta energy: -99.443 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: 3 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -1084.227954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.227954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.227954 (E_RNA) where: Base-Base interactions energy: -734.947 where: short stacking energy: -317.631 Base-Backbone interact. energy: -0.972 local terms energy: -348.309450 where: bonds (distance) C4'-P energy: -60.514 bonds (distance) P-C4' energy: -66.048 flat angles C4'-P-C4' energy: -69.788 flat angles P-C4'-P energy: -52.205 tors. eta vs tors. theta energy: -99.755 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: 1 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -992.208133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.208133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.208133 (E_RNA) where: Base-Base interactions energy: -665.320 where: short stacking energy: -285.420 Base-Backbone interact. energy: -0.437 local terms energy: -326.451084 where: bonds (distance) C4'-P energy: -58.146 bonds (distance) P-C4' energy: -54.098 flat angles C4'-P-C4' energy: -72.342 flat angles P-C4'-P energy: -47.969 tors. eta vs tors. theta energy: -93.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -1001.465600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.465600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.465600 (E_RNA) where: Base-Base interactions energy: -691.746 where: short stacking energy: -315.255 Base-Backbone interact. energy: 0.739 local terms energy: -310.458400 where: bonds (distance) C4'-P energy: -57.063 bonds (distance) P-C4' energy: -57.139 flat angles C4'-P-C4' energy: -64.192 flat angles P-C4'-P energy: -40.979 tors. eta vs tors. theta energy: -91.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -816.123203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.123203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.123203 (E_RNA) where: Base-Base interactions energy: -567.100 where: short stacking energy: -244.327 Base-Backbone interact. energy: -0.514 local terms energy: -248.508705 where: bonds (distance) C4'-P energy: -51.600 bonds (distance) P-C4' energy: -45.782 flat angles C4'-P-C4' energy: -64.486 flat angles P-C4'-P energy: -30.444 tors. eta vs tors. theta energy: -56.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -715.329635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.329635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.329635 (E_RNA) where: Base-Base interactions energy: -462.000 where: short stacking energy: -197.162 Base-Backbone interact. energy: -0.436 local terms energy: -252.893452 where: bonds (distance) C4'-P energy: -48.178 bonds (distance) P-C4' energy: -60.779 flat angles C4'-P-C4' energy: -60.584 flat angles P-C4'-P energy: -38.730 tors. eta vs tors. theta energy: -44.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -532.756240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.756240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.756240 (E_RNA) where: Base-Base interactions energy: -314.831 where: short stacking energy: -162.001 Base-Backbone interact. energy: -0.917 local terms energy: -217.008010 where: bonds (distance) C4'-P energy: -55.642 bonds (distance) P-C4' energy: -45.879 flat angles C4'-P-C4' energy: -64.073 flat angles P-C4'-P energy: -38.398 tors. eta vs tors. theta energy: -13.016 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: 7 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -567.193476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.193476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.193476 (E_RNA) where: Base-Base interactions energy: -327.964 where: short stacking energy: -174.865 Base-Backbone interact. energy: -2.097 local terms energy: -237.132679 where: bonds (distance) C4'-P energy: -63.456 bonds (distance) P-C4' energy: -48.250 flat angles C4'-P-C4' energy: -48.379 flat angles P-C4'-P energy: -40.694 tors. eta vs tors. theta energy: -36.353 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: 9 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -471.357103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.357103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.357103 (E_RNA) where: Base-Base interactions energy: -258.684 where: short stacking energy: -117.623 Base-Backbone interact. energy: -1.964 local terms energy: -210.708727 where: bonds (distance) C4'-P energy: -44.374 bonds (distance) P-C4' energy: -62.195 flat angles C4'-P-C4' energy: -54.255 flat angles P-C4'-P energy: -33.790 tors. eta vs tors. theta energy: -16.094 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: 1, replica: 2 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -1186.658988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.658988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.658988 (E_RNA) where: Base-Base interactions energy: -810.927 where: short stacking energy: -371.707 Base-Backbone interact. energy: -0.531 local terms energy: -375.200567 where: bonds (distance) C4'-P energy: -70.726 bonds (distance) P-C4' energy: -61.675 flat angles C4'-P-C4' energy: -78.507 flat angles P-C4'-P energy: -53.956 tors. eta vs tors. theta energy: -110.336 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: 8 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -1100.988117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.988117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.988117 (E_RNA) where: Base-Base interactions energy: -762.703 where: short stacking energy: -332.427 Base-Backbone interact. energy: -0.736 local terms energy: -337.549309 where: bonds (distance) C4'-P energy: -64.600 bonds (distance) P-C4' energy: -59.994 flat angles C4'-P-C4' energy: -76.611 flat angles P-C4'-P energy: -41.658 tors. eta vs tors. theta energy: -94.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -1029.815309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.815309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.815309 (E_RNA) where: Base-Base interactions energy: -704.766 where: short stacking energy: -307.761 Base-Backbone interact. energy: -1.691 local terms energy: -323.357798 where: bonds (distance) C4'-P energy: -56.548 bonds (distance) P-C4' energy: -57.616 flat angles C4'-P-C4' energy: -70.386 flat angles P-C4'-P energy: -51.942 tors. eta vs tors. theta energy: -86.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -1028.242306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.242306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.242306 (E_RNA) where: Base-Base interactions energy: -693.830 where: short stacking energy: -303.515 Base-Backbone interact. energy: -0.487 local terms energy: -333.924968 where: bonds (distance) C4'-P energy: -63.917 bonds (distance) P-C4' energy: -61.097 flat angles C4'-P-C4' energy: -66.408 flat angles P-C4'-P energy: -46.836 tors. eta vs tors. theta energy: -95.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -982.398451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.398451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.398451 (E_RNA) where: Base-Base interactions energy: -678.906 where: short stacking energy: -279.701 Base-Backbone interact. energy: -1.174 local terms energy: -302.317882 where: bonds (distance) C4'-P energy: -63.058 bonds (distance) P-C4' energy: -57.055 flat angles C4'-P-C4' energy: -57.015 flat angles P-C4'-P energy: -42.730 tors. eta vs tors. theta energy: -82.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -806.867861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.867861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.867861 (E_RNA) where: Base-Base interactions energy: -547.475 where: short stacking energy: -235.145 Base-Backbone interact. energy: 9.397 local terms energy: -268.790205 where: bonds (distance) C4'-P energy: -49.386 bonds (distance) P-C4' energy: -57.507 flat angles C4'-P-C4' energy: -63.905 flat angles P-C4'-P energy: -43.586 tors. eta vs tors. theta energy: -54.407 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: 10 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -730.890081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.890081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.890081 (E_RNA) where: Base-Base interactions energy: -470.492 where: short stacking energy: -209.974 Base-Backbone interact. energy: 0.997 local terms energy: -261.394790 where: bonds (distance) C4'-P energy: -66.310 bonds (distance) P-C4' energy: -52.484 flat angles C4'-P-C4' energy: -54.722 flat angles P-C4'-P energy: -35.740 tors. eta vs tors. theta energy: -52.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -558.993676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.993676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.993676 (E_RNA) where: Base-Base interactions energy: -320.711 where: short stacking energy: -163.572 Base-Backbone interact. energy: -0.030 local terms energy: -238.252619 where: bonds (distance) C4'-P energy: -59.444 bonds (distance) P-C4' energy: -60.035 flat angles C4'-P-C4' energy: -51.766 flat angles P-C4'-P energy: -34.426 tors. eta vs tors. theta energy: -32.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -536.426137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.426137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.426137 (E_RNA) where: Base-Base interactions energy: -316.786 where: short stacking energy: -152.378 Base-Backbone interact. energy: -0.789 local terms energy: -218.850611 where: bonds (distance) C4'-P energy: -57.200 bonds (distance) P-C4' energy: -56.069 flat angles C4'-P-C4' energy: -47.222 flat angles P-C4'-P energy: -33.784 tors. eta vs tors. theta energy: -24.576 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: 9 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -479.458416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.458416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.458416 (E_RNA) where: Base-Base interactions energy: -266.277 where: short stacking energy: -135.196 Base-Backbone interact. energy: -0.214 local terms energy: -212.967581 where: bonds (distance) C4'-P energy: -50.898 bonds (distance) P-C4' energy: -60.606 flat angles C4'-P-C4' energy: -46.106 flat angles P-C4'-P energy: -22.758 tors. eta vs tors. theta energy: -32.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -1182.625385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.625385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.625385 (E_RNA) where: Base-Base interactions energy: -826.605 where: short stacking energy: -360.068 Base-Backbone interact. energy: -0.093 local terms energy: -355.927387 where: bonds (distance) C4'-P energy: -62.968 bonds (distance) P-C4' energy: -61.215 flat angles C4'-P-C4' energy: -71.682 flat angles P-C4'-P energy: -50.022 tors. eta vs tors. theta energy: -110.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -1113.260935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.260935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.260935 (E_RNA) where: Base-Base interactions energy: -774.157 where: short stacking energy: -320.784 Base-Backbone interact. energy: -1.000 local terms energy: -338.104155 where: bonds (distance) C4'-P energy: -53.182 bonds (distance) P-C4' energy: -60.906 flat angles C4'-P-C4' energy: -77.345 flat angles P-C4'-P energy: -39.992 tors. eta vs tors. theta energy: -106.678 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: 1 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -1039.268814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.268814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.268814 (E_RNA) where: Base-Base interactions energy: -714.440 where: short stacking energy: -317.281 Base-Backbone interact. energy: -0.672 local terms energy: -324.157207 where: bonds (distance) C4'-P energy: -53.496 bonds (distance) P-C4' energy: -57.590 flat angles C4'-P-C4' energy: -67.737 flat angles P-C4'-P energy: -49.389 tors. eta vs tors. theta energy: -95.945 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: 5 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -1010.160693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.160693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.160693 (E_RNA) where: Base-Base interactions energy: -698.324 where: short stacking energy: -305.067 Base-Backbone interact. energy: -2.220 local terms energy: -309.616430 where: bonds (distance) C4'-P energy: -50.445 bonds (distance) P-C4' energy: -61.426 flat angles C4'-P-C4' energy: -65.116 flat angles P-C4'-P energy: -40.720 tors. eta vs tors. theta energy: -91.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -1008.690879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.690879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.690879 (E_RNA) where: Base-Base interactions energy: -694.633 where: short stacking energy: -297.680 Base-Backbone interact. energy: -1.350 local terms energy: -312.707661 where: bonds (distance) C4'-P energy: -58.021 bonds (distance) P-C4' energy: -53.742 flat angles C4'-P-C4' energy: -69.766 flat angles P-C4'-P energy: -43.982 tors. eta vs tors. theta energy: -87.197 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: 6, replica: 10 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -759.410034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.410034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.410034 (E_RNA) where: Base-Base interactions energy: -476.285 where: short stacking energy: -226.356 Base-Backbone interact. energy: -1.510 local terms energy: -281.615174 where: bonds (distance) C4'-P energy: -49.083 bonds (distance) P-C4' energy: -62.968 flat angles C4'-P-C4' energy: -66.616 flat angles P-C4'-P energy: -42.294 tors. eta vs tors. theta energy: -60.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -794.395159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.395159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.395159 (E_RNA) where: Base-Base interactions energy: -532.392 where: short stacking energy: -253.208 Base-Backbone interact. energy: -0.156 local terms energy: -261.846903 where: bonds (distance) C4'-P energy: -53.927 bonds (distance) P-C4' energy: -55.925 flat angles C4'-P-C4' energy: -52.479 flat angles P-C4'-P energy: -34.116 tors. eta vs tors. theta energy: -65.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -560.366476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.366476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.366476 (E_RNA) where: Base-Base interactions energy: -347.810 where: short stacking energy: -169.537 Base-Backbone interact. energy: -0.765 local terms energy: -211.791630 where: bonds (distance) C4'-P energy: -54.306 bonds (distance) P-C4' energy: -55.552 flat angles C4'-P-C4' energy: -52.526 flat angles P-C4'-P energy: -20.424 tors. eta vs tors. theta energy: -28.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -522.032791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.032791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.032791 (E_RNA) where: Base-Base interactions energy: -304.053 where: short stacking energy: -155.496 Base-Backbone interact. energy: 1.121 local terms energy: -219.100445 where: bonds (distance) C4'-P energy: -55.253 bonds (distance) P-C4' energy: -54.525 flat angles C4'-P-C4' energy: -47.055 flat angles P-C4'-P energy: -37.630 tors. eta vs tors. theta energy: -24.637 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: 9 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -515.285721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.285721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.285721 (E_RNA) where: Base-Base interactions energy: -306.690 where: short stacking energy: -146.346 Base-Backbone interact. energy: -1.771 local terms energy: -206.824832 where: bonds (distance) C4'-P energy: -53.031 bonds (distance) P-C4' energy: -50.276 flat angles C4'-P-C4' energy: -47.542 flat angles P-C4'-P energy: -34.803 tors. eta vs tors. theta energy: -21.173 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: 1, replica: 2 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -1190.919098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.919098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.919098 (E_RNA) where: Base-Base interactions energy: -828.305 where: short stacking energy: -368.978 Base-Backbone interact. energy: -1.717 local terms energy: -360.896759 where: bonds (distance) C4'-P energy: -61.117 bonds (distance) P-C4' energy: -62.690 flat angles C4'-P-C4' energy: -70.752 flat angles P-C4'-P energy: -52.030 tors. eta vs tors. theta energy: -114.307 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: 8 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -1108.486680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.486680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.486680 (E_RNA) where: Base-Base interactions energy: -767.458 where: short stacking energy: -334.302 Base-Backbone interact. energy: -0.773 local terms energy: -340.255471 where: bonds (distance) C4'-P energy: -65.233 bonds (distance) P-C4' energy: -62.483 flat angles C4'-P-C4' energy: -71.799 flat angles P-C4'-P energy: -45.555 tors. eta vs tors. theta energy: -95.186 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: 5 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -1038.599618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.599618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.599618 (E_RNA) where: Base-Base interactions energy: -715.911 where: short stacking energy: -328.022 Base-Backbone interact. energy: -0.866 local terms energy: -321.822570 where: bonds (distance) C4'-P energy: -50.613 bonds (distance) P-C4' energy: -57.805 flat angles C4'-P-C4' energy: -69.909 flat angles P-C4'-P energy: -44.962 tors. eta vs tors. theta energy: -98.533 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: 1 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -1008.990931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.990931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.990931 (E_RNA) where: Base-Base interactions energy: -673.215 where: short stacking energy: -283.853 Base-Backbone interact. energy: -1.031 local terms energy: -334.744966 where: bonds (distance) C4'-P energy: -69.927 bonds (distance) P-C4' energy: -55.091 flat angles C4'-P-C4' energy: -66.441 flat angles P-C4'-P energy: -48.937 tors. eta vs tors. theta energy: -94.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -1000.062979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.062979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.062979 (E_RNA) where: Base-Base interactions energy: -704.988 where: short stacking energy: -281.738 Base-Backbone interact. energy: -1.228 local terms energy: -293.846363 where: bonds (distance) C4'-P energy: -49.114 bonds (distance) P-C4' energy: -55.823 flat angles C4'-P-C4' energy: -64.754 flat angles P-C4'-P energy: -37.283 tors. eta vs tors. theta energy: -86.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -757.262985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.262985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.262985 (E_RNA) where: Base-Base interactions energy: -477.362 where: short stacking energy: -207.690 Base-Backbone interact. energy: -3.560 local terms energy: -276.341483 where: bonds (distance) C4'-P energy: -53.542 bonds (distance) P-C4' energy: -61.369 flat angles C4'-P-C4' energy: -69.148 flat angles P-C4'-P energy: -45.410 tors. eta vs tors. theta energy: -46.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -734.495116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.495116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.495116 (E_RNA) where: Base-Base interactions energy: -500.607 where: short stacking energy: -198.070 Base-Backbone interact. energy: -0.864 local terms energy: -233.024062 where: bonds (distance) C4'-P energy: -56.920 bonds (distance) P-C4' energy: -52.987 flat angles C4'-P-C4' energy: -53.045 flat angles P-C4'-P energy: -35.399 tors. eta vs tors. theta energy: -34.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -540.226736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.226736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.226736 (E_RNA) where: Base-Base interactions energy: -319.047 where: short stacking energy: -141.699 Base-Backbone interact. energy: 0.094 local terms energy: -221.273380 where: bonds (distance) C4'-P energy: -61.018 bonds (distance) P-C4' energy: -52.737 flat angles C4'-P-C4' energy: -40.765 flat angles P-C4'-P energy: -40.775 tors. eta vs tors. theta energy: -25.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -500.637823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.637823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.637823 (E_RNA) where: Base-Base interactions energy: -307.855 where: short stacking energy: -166.553 Base-Backbone interact. energy: 0.049 local terms energy: -192.832056 where: bonds (distance) C4'-P energy: -49.629 bonds (distance) P-C4' energy: -42.392 flat angles C4'-P-C4' energy: -41.797 flat angles P-C4'-P energy: -22.059 tors. eta vs tors. theta energy: -36.955 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: 6 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -474.291108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.291108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.291108 (E_RNA) where: Base-Base interactions energy: -290.742 where: short stacking energy: -156.968 Base-Backbone interact. energy: -2.671 local terms energy: -180.877455 where: bonds (distance) C4'-P energy: -51.663 bonds (distance) P-C4' energy: -34.223 flat angles C4'-P-C4' energy: -53.266 flat angles P-C4'-P energy: -19.156 tors. eta vs tors. theta energy: -22.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -1191.949037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.949037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.949037 (E_RNA) where: Base-Base interactions energy: -812.228 where: short stacking energy: -346.437 Base-Backbone interact. energy: -0.669 local terms energy: -379.051507 where: bonds (distance) C4'-P energy: -69.974 bonds (distance) P-C4' energy: -68.613 flat angles C4'-P-C4' energy: -68.293 flat angles P-C4'-P energy: -56.635 tors. eta vs tors. theta energy: -115.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -1100.561367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.561367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.561367 (E_RNA) where: Base-Base interactions energy: -768.662 where: short stacking energy: -311.933 Base-Backbone interact. energy: -1.409 local terms energy: -330.490158 where: bonds (distance) C4'-P energy: -55.430 bonds (distance) P-C4' energy: -65.003 flat angles C4'-P-C4' energy: -70.131 flat angles P-C4'-P energy: -51.297 tors. eta vs tors. theta energy: -88.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -1035.466123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.466123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.466123 (E_RNA) where: Base-Base interactions energy: -717.085 where: short stacking energy: -305.936 Base-Backbone interact. energy: -2.337 local terms energy: -316.044005 where: bonds (distance) C4'-P energy: -66.271 bonds (distance) P-C4' energy: -48.515 flat angles C4'-P-C4' energy: -72.666 flat angles P-C4'-P energy: -35.491 tors. eta vs tors. theta energy: -93.101 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: 4, replica: 1 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -1015.628878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.628878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.628878 (E_RNA) where: Base-Base interactions energy: -701.975 where: short stacking energy: -300.306 Base-Backbone interact. energy: -0.412 local terms energy: -313.242656 where: bonds (distance) C4'-P energy: -62.653 bonds (distance) P-C4' energy: -67.555 flat angles C4'-P-C4' energy: -63.215 flat angles P-C4'-P energy: -32.234 tors. eta vs tors. theta energy: -87.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -1002.274988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.274988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.274988 (E_RNA) where: Base-Base interactions energy: -705.828 where: short stacking energy: -284.878 Base-Backbone interact. energy: -1.251 local terms energy: -295.195883 where: bonds (distance) C4'-P energy: -53.737 bonds (distance) P-C4' energy: -51.934 flat angles C4'-P-C4' energy: -61.442 flat angles P-C4'-P energy: -42.969 tors. eta vs tors. theta energy: -85.115 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: 10 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -769.539080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.539080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.539080 (E_RNA) where: Base-Base interactions energy: -501.748 where: short stacking energy: -218.991 Base-Backbone interact. energy: -0.912 local terms energy: -266.879327 where: bonds (distance) C4'-P energy: -64.103 bonds (distance) P-C4' energy: -52.248 flat angles C4'-P-C4' energy: -55.793 flat angles P-C4'-P energy: -36.810 tors. eta vs tors. theta energy: -57.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -740.976722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.976722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.976722 (E_RNA) where: Base-Base interactions energy: -496.150 where: short stacking energy: -209.099 Base-Backbone interact. energy: 1.826 local terms energy: -246.652790 where: bonds (distance) C4'-P energy: -50.621 bonds (distance) P-C4' energy: -62.175 flat angles C4'-P-C4' energy: -53.183 flat angles P-C4'-P energy: -31.575 tors. eta vs tors. theta energy: -49.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -595.495383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.495383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.495383 (E_RNA) where: Base-Base interactions energy: -352.736 where: short stacking energy: -175.471 Base-Backbone interact. energy: 0.174 local terms energy: -242.932779 where: bonds (distance) C4'-P energy: -60.065 bonds (distance) P-C4' energy: -66.564 flat angles C4'-P-C4' energy: -38.324 flat angles P-C4'-P energy: -36.234 tors. eta vs tors. theta energy: -41.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -552.090385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.090385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.090385 (E_RNA) where: Base-Base interactions energy: -339.422 where: short stacking energy: -170.832 Base-Backbone interact. energy: -0.349 local terms energy: -212.319107 where: bonds (distance) C4'-P energy: -60.320 bonds (distance) P-C4' energy: -47.958 flat angles C4'-P-C4' energy: -44.605 flat angles P-C4'-P energy: -28.816 tors. eta vs tors. theta energy: -30.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -498.387876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.387876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.387876 (E_RNA) where: Base-Base interactions energy: -281.265 where: short stacking energy: -143.304 Base-Backbone interact. energy: -0.923 local terms energy: -216.199825 where: bonds (distance) C4'-P energy: -58.867 bonds (distance) P-C4' energy: -44.682 flat angles C4'-P-C4' energy: -46.703 flat angles P-C4'-P energy: -40.444 tors. eta vs tors. theta energy: -25.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -1191.446935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.446935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.446935 (E_RNA) where: Base-Base interactions energy: -831.300 where: short stacking energy: -357.769 Base-Backbone interact. energy: 0.100 local terms energy: -360.246726 where: bonds (distance) C4'-P energy: -61.695 bonds (distance) P-C4' energy: -58.029 flat angles C4'-P-C4' energy: -74.720 flat angles P-C4'-P energy: -52.560 tors. eta vs tors. theta energy: -113.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -1094.776716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.776716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.776716 (E_RNA) where: Base-Base interactions energy: -750.965 where: short stacking energy: -311.769 Base-Backbone interact. energy: -1.812 local terms energy: -341.999801 where: bonds (distance) C4'-P energy: -66.634 bonds (distance) P-C4' energy: -69.765 flat angles C4'-P-C4' energy: -67.850 flat angles P-C4'-P energy: -45.827 tors. eta vs tors. theta energy: -91.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -1042.409914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.409914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.409914 (E_RNA) where: Base-Base interactions energy: -716.953 where: short stacking energy: -314.872 Base-Backbone interact. energy: 0.073 local terms energy: -325.529268 where: bonds (distance) C4'-P energy: -53.169 bonds (distance) P-C4' energy: -56.380 flat angles C4'-P-C4' energy: -68.419 flat angles P-C4'-P energy: -48.481 tors. eta vs tors. theta energy: -99.079 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: 5 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -1009.337887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.337887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.337887 (E_RNA) where: Base-Base interactions energy: -695.438 where: short stacking energy: -310.298 Base-Backbone interact. energy: 0.339 local terms energy: -314.237908 where: bonds (distance) C4'-P energy: -63.757 bonds (distance) P-C4' energy: -51.790 flat angles C4'-P-C4' energy: -67.953 flat angles P-C4'-P energy: -43.469 tors. eta vs tors. theta energy: -87.270 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: 3 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -1012.241274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.241274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.241274 (E_RNA) where: Base-Base interactions energy: -705.251 where: short stacking energy: -279.139 Base-Backbone interact. energy: -0.010 local terms energy: -306.980387 where: bonds (distance) C4'-P energy: -56.095 bonds (distance) P-C4' energy: -60.785 flat angles C4'-P-C4' energy: -68.526 flat angles P-C4'-P energy: -34.564 tors. eta vs tors. theta energy: -87.011 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: 10 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -771.826876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.826876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.826876 (E_RNA) where: Base-Base interactions energy: -507.049 where: short stacking energy: -227.330 Base-Backbone interact. energy: -1.382 local terms energy: -263.395775 where: bonds (distance) C4'-P energy: -44.754 bonds (distance) P-C4' energy: -60.210 flat angles C4'-P-C4' energy: -65.141 flat angles P-C4'-P energy: -34.474 tors. eta vs tors. theta energy: -58.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -757.409849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.409849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.409849 (E_RNA) where: Base-Base interactions energy: -472.903 where: short stacking energy: -219.131 Base-Backbone interact. energy: -0.966 local terms energy: -283.540355 where: bonds (distance) C4'-P energy: -53.658 bonds (distance) P-C4' energy: -60.208 flat angles C4'-P-C4' energy: -69.802 flat angles P-C4'-P energy: -39.085 tors. eta vs tors. theta energy: -60.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -575.568706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.568706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.568706 (E_RNA) where: Base-Base interactions energy: -371.001 where: short stacking energy: -165.301 Base-Backbone interact. energy: -2.356 local terms energy: -202.211630 where: bonds (distance) C4'-P energy: -44.063 bonds (distance) P-C4' energy: -67.172 flat angles C4'-P-C4' energy: -54.224 flat angles P-C4'-P energy: -17.655 tors. eta vs tors. theta energy: -19.098 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: 7 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -538.374104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.374104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.374104 (E_RNA) where: Base-Base interactions energy: -319.124 where: short stacking energy: -160.253 Base-Backbone interact. energy: -0.808 local terms energy: -218.442060 where: bonds (distance) C4'-P energy: -52.251 bonds (distance) P-C4' energy: -55.460 flat angles C4'-P-C4' energy: -46.728 flat angles P-C4'-P energy: -37.805 tors. eta vs tors. theta energy: -26.198 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: 6 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -505.512746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.512746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.512746 (E_RNA) where: Base-Base interactions energy: -268.447 where: short stacking energy: -129.272 Base-Backbone interact. energy: -1.238 local terms energy: -235.827738 where: bonds (distance) C4'-P energy: -43.045 bonds (distance) P-C4' energy: -56.606 flat angles C4'-P-C4' energy: -58.383 flat angles P-C4'-P energy: -41.075 tors. eta vs tors. theta energy: -36.719 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: 2 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -1195.880886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.880886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.880886 (E_RNA) where: Base-Base interactions energy: -840.571 where: short stacking energy: -366.880 Base-Backbone interact. energy: -0.450 local terms energy: -354.860553 where: bonds (distance) C4'-P energy: -59.973 bonds (distance) P-C4' energy: -60.247 flat angles C4'-P-C4' energy: -81.038 flat angles P-C4'-P energy: -47.976 tors. eta vs tors. theta energy: -105.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -1101.299588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.299588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.299588 (E_RNA) where: Base-Base interactions energy: -771.283 where: short stacking energy: -306.957 Base-Backbone interact. energy: -1.785 local terms energy: -328.230662 where: bonds (distance) C4'-P energy: -67.014 bonds (distance) P-C4' energy: -53.724 flat angles C4'-P-C4' energy: -65.383 flat angles P-C4'-P energy: -50.404 tors. eta vs tors. theta energy: -91.705 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: 3, replica: 1 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -1022.891764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.891764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.891764 (E_RNA) where: Base-Base interactions energy: -687.855 where: short stacking energy: -317.255 Base-Backbone interact. energy: -1.069 local terms energy: -333.968633 where: bonds (distance) C4'-P energy: -55.280 bonds (distance) P-C4' energy: -68.425 flat angles C4'-P-C4' energy: -69.234 flat angles P-C4'-P energy: -51.529 tors. eta vs tors. theta energy: -89.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -1041.561488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.561488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.561488 (E_RNA) where: Base-Base interactions energy: -712.113 where: short stacking energy: -312.043 Base-Backbone interact. energy: -1.504 local terms energy: -327.943849 where: bonds (distance) C4'-P energy: -57.888 bonds (distance) P-C4' energy: -60.706 flat angles C4'-P-C4' energy: -73.390 flat angles P-C4'-P energy: -39.533 tors. eta vs tors. theta energy: -96.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -984.801399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.801399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.801399 (E_RNA) where: Base-Base interactions energy: -685.864 where: short stacking energy: -310.376 Base-Backbone interact. energy: -1.812 local terms energy: -297.124720 where: bonds (distance) C4'-P energy: -57.791 bonds (distance) P-C4' energy: -53.455 flat angles C4'-P-C4' energy: -65.262 flat angles P-C4'-P energy: -40.679 tors. eta vs tors. theta energy: -79.937 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: 4 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -780.835485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.835485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.835485 (E_RNA) where: Base-Base interactions energy: -518.355 where: short stacking energy: -236.953 Base-Backbone interact. energy: -0.862 local terms energy: -261.618440 where: bonds (distance) C4'-P energy: -47.681 bonds (distance) P-C4' energy: -60.498 flat angles C4'-P-C4' energy: -67.505 flat angles P-C4'-P energy: -31.699 tors. eta vs tors. theta energy: -54.236 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: 10 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -691.407547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.407547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.407547 (E_RNA) where: Base-Base interactions energy: -433.752 where: short stacking energy: -207.607 Base-Backbone interact. energy: -1.023 local terms energy: -256.632288 where: bonds (distance) C4'-P energy: -43.126 bonds (distance) P-C4' energy: -53.141 flat angles C4'-P-C4' energy: -66.079 flat angles P-C4'-P energy: -43.469 tors. eta vs tors. theta energy: -50.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -557.675157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.675157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.675157 (E_RNA) where: Base-Base interactions energy: -318.259 where: short stacking energy: -144.984 Base-Backbone interact. energy: -1.203 local terms energy: -238.212972 where: bonds (distance) C4'-P energy: -56.965 bonds (distance) P-C4' energy: -59.927 flat angles C4'-P-C4' energy: -54.927 flat angles P-C4'-P energy: -41.773 tors. eta vs tors. theta energy: -24.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -520.805976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.805976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.805976 (E_RNA) where: Base-Base interactions energy: -328.761 where: short stacking energy: -145.692 Base-Backbone interact. energy: -0.210 local terms energy: -191.835067 where: bonds (distance) C4'-P energy: -38.549 bonds (distance) P-C4' energy: -46.551 flat angles C4'-P-C4' energy: -55.619 flat angles P-C4'-P energy: -25.922 tors. eta vs tors. theta energy: -25.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -520.401144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.401144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.401144 (E_RNA) where: Base-Base interactions energy: -298.165 where: short stacking energy: -151.161 Base-Backbone interact. energy: -2.282 local terms energy: -219.954055 where: bonds (distance) C4'-P energy: -56.100 bonds (distance) P-C4' energy: -55.689 flat angles C4'-P-C4' energy: -53.230 flat angles P-C4'-P energy: -30.712 tors. eta vs tors. theta energy: -24.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -1202.236795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.236795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.236795 (E_RNA) where: Base-Base interactions energy: -832.213 where: short stacking energy: -355.530 Base-Backbone interact. energy: -0.930 local terms energy: -369.093428 where: bonds (distance) C4'-P energy: -66.162 bonds (distance) P-C4' energy: -68.529 flat angles C4'-P-C4' energy: -72.652 flat angles P-C4'-P energy: -50.881 tors. eta vs tors. theta energy: -110.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -1114.232948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.232948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.232948 (E_RNA) where: Base-Base interactions energy: -766.468 where: short stacking energy: -327.472 Base-Backbone interact. energy: -1.570 local terms energy: -346.195269 where: bonds (distance) C4'-P energy: -71.213 bonds (distance) P-C4' energy: -60.050 flat angles C4'-P-C4' energy: -71.714 flat angles P-C4'-P energy: -40.652 tors. eta vs tors. theta energy: -102.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -1036.360882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.360882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.360882 (E_RNA) where: Base-Base interactions energy: -703.770 where: short stacking energy: -306.988 Base-Backbone interact. energy: -0.738 local terms energy: -331.853479 where: bonds (distance) C4'-P energy: -54.828 bonds (distance) P-C4' energy: -57.471 flat angles C4'-P-C4' energy: -73.640 flat angles P-C4'-P energy: -50.709 tors. eta vs tors. theta energy: -95.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -1011.089408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.089408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.089408 (E_RNA) where: Base-Base interactions energy: -696.137 where: short stacking energy: -302.773 Base-Backbone interact. energy: 0.954 local terms energy: -315.906508 where: bonds (distance) C4'-P energy: -51.044 bonds (distance) P-C4' energy: -54.262 flat angles C4'-P-C4' energy: -73.430 flat angles P-C4'-P energy: -48.535 tors. eta vs tors. theta energy: -88.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -1008.401115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.401115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.401115 (E_RNA) where: Base-Base interactions energy: -694.023 where: short stacking energy: -296.384 Base-Backbone interact. energy: -1.305 local terms energy: -313.072804 where: bonds (distance) C4'-P energy: -59.079 bonds (distance) P-C4' energy: -52.828 flat angles C4'-P-C4' energy: -59.460 flat angles P-C4'-P energy: -51.234 tors. eta vs tors. theta energy: -90.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -814.253658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.253658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.253658 (E_RNA) where: Base-Base interactions energy: -529.481 where: short stacking energy: -231.851 Base-Backbone interact. energy: -1.025 local terms energy: -283.747742 where: bonds (distance) C4'-P energy: -57.833 bonds (distance) P-C4' energy: -58.742 flat angles C4'-P-C4' energy: -61.338 flat angles P-C4'-P energy: -36.950 tors. eta vs tors. theta energy: -68.885 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: 346 Temperature: 1.200000 Total energy: -688.149640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.149640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.149640 (E_RNA) where: Base-Base interactions energy: -449.313 where: short stacking energy: -206.069 Base-Backbone interact. energy: -0.178 local terms energy: -238.658432 where: bonds (distance) C4'-P energy: -41.987 bonds (distance) P-C4' energy: -58.863 flat angles C4'-P-C4' energy: -50.931 flat angles P-C4'-P energy: -44.661 tors. eta vs tors. theta energy: -42.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -559.627045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.627045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.627045 (E_RNA) where: Base-Base interactions energy: -330.984 where: short stacking energy: -181.743 Base-Backbone interact. energy: 0.040 local terms energy: -228.683319 where: bonds (distance) C4'-P energy: -49.917 bonds (distance) P-C4' energy: -49.730 flat angles C4'-P-C4' energy: -58.980 flat angles P-C4'-P energy: -33.927 tors. eta vs tors. theta energy: -36.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -523.151283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.151283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.151283 (E_RNA) where: Base-Base interactions energy: -300.039 where: short stacking energy: -154.493 Base-Backbone interact. energy: -1.615 local terms energy: -221.496734 where: bonds (distance) C4'-P energy: -49.826 bonds (distance) P-C4' energy: -54.726 flat angles C4'-P-C4' energy: -51.935 flat angles P-C4'-P energy: -31.410 tors. eta vs tors. theta energy: -33.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -512.720370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.720370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.720370 (E_RNA) where: Base-Base interactions energy: -290.262 where: short stacking energy: -140.150 Base-Backbone interact. energy: 0.514 local terms energy: -222.973114 where: bonds (distance) C4'-P energy: -57.792 bonds (distance) P-C4' energy: -55.565 flat angles C4'-P-C4' energy: -57.865 flat angles P-C4'-P energy: -36.111 tors. eta vs tors. theta energy: -15.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -1190.014366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.014366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.014366 (E_RNA) where: Base-Base interactions energy: -820.920 where: short stacking energy: -342.736 Base-Backbone interact. energy: -0.851 local terms energy: -368.243248 where: bonds (distance) C4'-P energy: -56.200 bonds (distance) P-C4' energy: -63.217 flat angles C4'-P-C4' energy: -74.285 flat angles P-C4'-P energy: -57.547 tors. eta vs tors. theta energy: -116.994 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: 8 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -1114.728209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.728209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.728209 (E_RNA) where: Base-Base interactions energy: -768.156 where: short stacking energy: -330.735 Base-Backbone interact. energy: -0.821 local terms energy: -345.751341 where: bonds (distance) C4'-P energy: -64.039 bonds (distance) P-C4' energy: -63.376 flat angles C4'-P-C4' energy: -68.394 flat angles P-C4'-P energy: -42.637 tors. eta vs tors. theta energy: -107.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -1047.894849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.894849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.894849 (E_RNA) where: Base-Base interactions energy: -720.693 where: short stacking energy: -316.760 Base-Backbone interact. energy: 1.227 local terms energy: -328.428839 where: bonds (distance) C4'-P energy: -56.575 bonds (distance) P-C4' energy: -60.995 flat angles C4'-P-C4' energy: -64.909 flat angles P-C4'-P energy: -49.782 tors. eta vs tors. theta energy: -96.168 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: 3 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -1012.694724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.694724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.694724 (E_RNA) where: Base-Base interactions energy: -686.337 where: short stacking energy: -302.845 Base-Backbone interact. energy: 0.974 local terms energy: -327.330915 where: bonds (distance) C4'-P energy: -64.923 bonds (distance) P-C4' energy: -58.726 flat angles C4'-P-C4' energy: -67.959 flat angles P-C4'-P energy: -48.082 tors. eta vs tors. theta energy: -87.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -997.376557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.376557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.376557 (E_RNA) where: Base-Base interactions energy: -665.240 where: short stacking energy: -288.819 Base-Backbone interact. energy: -2.676 local terms energy: -329.460719 where: bonds (distance) C4'-P energy: -69.683 bonds (distance) P-C4' energy: -64.296 flat angles C4'-P-C4' energy: -71.766 flat angles P-C4'-P energy: -44.970 tors. eta vs tors. theta energy: -78.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -800.212167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.212167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.212167 (E_RNA) where: Base-Base interactions energy: -530.165 where: short stacking energy: -249.427 Base-Backbone interact. energy: -0.680 local terms energy: -269.366357 where: bonds (distance) C4'-P energy: -51.635 bonds (distance) P-C4' energy: -53.012 flat angles C4'-P-C4' energy: -60.324 flat angles P-C4'-P energy: -38.500 tors. eta vs tors. theta energy: -65.895 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: 10 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -704.625545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.625545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.625545 (E_RNA) where: Base-Base interactions energy: -450.739 where: short stacking energy: -211.444 Base-Backbone interact. energy: -0.378 local terms energy: -253.508060 where: bonds (distance) C4'-P energy: -44.290 bonds (distance) P-C4' energy: -54.820 flat angles C4'-P-C4' energy: -66.694 flat angles P-C4'-P energy: -29.493 tors. eta vs tors. theta energy: -58.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -563.587740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.587740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.587740 (E_RNA) where: Base-Base interactions energy: -328.753 where: short stacking energy: -158.185 Base-Backbone interact. energy: -0.939 local terms energy: -233.896350 where: bonds (distance) C4'-P energy: -51.687 bonds (distance) P-C4' energy: -57.262 flat angles C4'-P-C4' energy: -50.006 flat angles P-C4'-P energy: -40.738 tors. eta vs tors. theta energy: -34.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -524.391581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.391581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.391581 (E_RNA) where: Base-Base interactions energy: -322.288 where: short stacking energy: -155.871 Base-Backbone interact. energy: -0.840 local terms energy: -201.263160 where: bonds (distance) C4'-P energy: -49.402 bonds (distance) P-C4' energy: -43.067 flat angles C4'-P-C4' energy: -57.630 flat angles P-C4'-P energy: -29.510 tors. eta vs tors. theta energy: -21.653 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: 7 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -507.897897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.897897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.897897 (E_RNA) where: Base-Base interactions energy: -276.311 where: short stacking energy: -132.574 Base-Backbone interact. energy: 2.517 local terms energy: -234.103757 where: bonds (distance) C4'-P energy: -60.327 bonds (distance) P-C4' energy: -56.762 flat angles C4'-P-C4' energy: -62.118 flat angles P-C4'-P energy: -34.399 tors. eta vs tors. theta energy: -20.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -1196.351168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.351168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.351168 (E_RNA) where: Base-Base interactions energy: -817.399 where: short stacking energy: -359.632 Base-Backbone interact. energy: -1.387 local terms energy: -377.565661 where: bonds (distance) C4'-P energy: -62.034 bonds (distance) P-C4' energy: -68.365 flat angles C4'-P-C4' energy: -74.699 flat angles P-C4'-P energy: -56.916 tors. eta vs tors. theta energy: -115.551 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: 2, replica: 8 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -1102.126716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.126716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.126716 (E_RNA) where: Base-Base interactions energy: -770.721 where: short stacking energy: -322.459 Base-Backbone interact. energy: 1.772 local terms energy: -333.177252 where: bonds (distance) C4'-P energy: -62.820 bonds (distance) P-C4' energy: -68.359 flat angles C4'-P-C4' energy: -59.542 flat angles P-C4'-P energy: -42.327 tors. eta vs tors. theta energy: -100.129 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: 1 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -1037.033623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.033623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.033623 (E_RNA) where: Base-Base interactions energy: -706.582 where: short stacking energy: -319.732 Base-Backbone interact. energy: 3.574 local terms energy: -334.025752 where: bonds (distance) C4'-P energy: -55.450 bonds (distance) P-C4' energy: -55.404 flat angles C4'-P-C4' energy: -73.208 flat angles P-C4'-P energy: -54.485 tors. eta vs tors. theta energy: -95.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -1021.317701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.317701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.317701 (E_RNA) where: Base-Base interactions energy: -700.649 where: short stacking energy: -311.705 Base-Backbone interact. energy: 0.647 local terms energy: -321.315452 where: bonds (distance) C4'-P energy: -54.870 bonds (distance) P-C4' energy: -59.935 flat angles C4'-P-C4' energy: -69.620 flat angles P-C4'-P energy: -48.104 tors. eta vs tors. theta energy: -88.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -991.576520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.576520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.576520 (E_RNA) where: Base-Base interactions energy: -679.866 where: short stacking energy: -288.833 Base-Backbone interact. energy: 1.971 local terms energy: -313.682058 where: bonds (distance) C4'-P energy: -58.402 bonds (distance) P-C4' energy: -58.167 flat angles C4'-P-C4' energy: -66.191 flat angles P-C4'-P energy: -49.035 tors. eta vs tors. theta energy: -81.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -789.733076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.733076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.733076 (E_RNA) where: Base-Base interactions energy: -520.369 where: short stacking energy: -240.899 Base-Backbone interact. energy: 0.404 local terms energy: -269.768244 where: bonds (distance) C4'-P energy: -47.451 bonds (distance) P-C4' energy: -53.681 flat angles C4'-P-C4' energy: -61.613 flat angles P-C4'-P energy: -50.096 tors. eta vs tors. theta energy: -56.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -674.986743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.986743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.986743 (E_RNA) where: Base-Base interactions energy: -425.480 where: short stacking energy: -213.988 Base-Backbone interact. energy: -1.230 local terms energy: -248.276946 where: bonds (distance) C4'-P energy: -49.732 bonds (distance) P-C4' energy: -51.254 flat angles C4'-P-C4' energy: -63.943 flat angles P-C4'-P energy: -33.100 tors. eta vs tors. theta energy: -50.247 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: 9 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -571.999794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.999794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.999794 (E_RNA) where: Base-Base interactions energy: -340.327 where: short stacking energy: -180.573 Base-Backbone interact. energy: -0.972 local terms energy: -230.701100 where: bonds (distance) C4'-P energy: -55.800 bonds (distance) P-C4' energy: -49.323 flat angles C4'-P-C4' energy: -59.575 flat angles P-C4'-P energy: -25.617 tors. eta vs tors. theta energy: -40.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -518.776931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.776931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.776931 (E_RNA) where: Base-Base interactions energy: -294.197 where: short stacking energy: -143.260 Base-Backbone interact. energy: -1.153 local terms energy: -223.426919 where: bonds (distance) C4'-P energy: -65.341 bonds (distance) P-C4' energy: -50.785 flat angles C4'-P-C4' energy: -57.444 flat angles P-C4'-P energy: -23.775 tors. eta vs tors. theta energy: -26.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -497.045377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.045377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.045377 (E_RNA) where: Base-Base interactions energy: -293.787 where: short stacking energy: -131.795 Base-Backbone interact. energy: -1.436 local terms energy: -201.823026 where: bonds (distance) C4'-P energy: -57.805 bonds (distance) P-C4' energy: -32.053 flat angles C4'-P-C4' energy: -62.488 flat angles P-C4'-P energy: -33.135 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: 2 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -1196.516636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.516636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.516636 (E_RNA) where: Base-Base interactions energy: -823.822 where: short stacking energy: -357.295 Base-Backbone interact. energy: -1.343 local terms energy: -371.351086 where: bonds (distance) C4'-P energy: -66.822 bonds (distance) P-C4' energy: -68.567 flat angles C4'-P-C4' energy: -70.740 flat angles P-C4'-P energy: -49.837 tors. eta vs tors. theta energy: -115.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -1104.470172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.470172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.470172 (E_RNA) where: Base-Base interactions energy: -764.625 where: short stacking energy: -325.593 Base-Backbone interact. energy: -1.057 local terms energy: -338.788296 where: bonds (distance) C4'-P energy: -54.542 bonds (distance) P-C4' energy: -68.244 flat angles C4'-P-C4' energy: -74.626 flat angles P-C4'-P energy: -45.396 tors. eta vs tors. theta energy: -95.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -1046.036004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.036004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.036004 (E_RNA) where: Base-Base interactions energy: -710.613 where: short stacking energy: -322.766 Base-Backbone interact. energy: -0.996 local terms energy: -334.427588 where: bonds (distance) C4'-P energy: -62.108 bonds (distance) P-C4' energy: -56.268 flat angles C4'-P-C4' energy: -74.192 flat angles P-C4'-P energy: -48.583 tors. eta vs tors. theta energy: -93.276 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: 5 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -992.451796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.451796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.451796 (E_RNA) where: Base-Base interactions energy: -670.405 where: short stacking energy: -285.941 Base-Backbone interact. energy: -1.426 local terms energy: -320.621016 where: bonds (distance) C4'-P energy: -56.865 bonds (distance) P-C4' energy: -63.258 flat angles C4'-P-C4' energy: -71.521 flat angles P-C4'-P energy: -51.128 tors. eta vs tors. theta energy: -77.850 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: 3 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -975.446625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.446625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.446625 (E_RNA) where: Base-Base interactions energy: -654.329 where: short stacking energy: -285.297 Base-Backbone interact. energy: -1.133 local terms energy: -319.985387 where: bonds (distance) C4'-P energy: -49.055 bonds (distance) P-C4' energy: -64.130 flat angles C4'-P-C4' energy: -69.622 flat angles P-C4'-P energy: -51.321 tors. eta vs tors. theta energy: -85.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -761.057772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.057772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.057772 (E_RNA) where: Base-Base interactions energy: -502.736 where: short stacking energy: -213.594 Base-Backbone interact. energy: 0.176 local terms energy: -258.498560 where: bonds (distance) C4'-P energy: -50.489 bonds (distance) P-C4' energy: -61.767 flat angles C4'-P-C4' energy: -61.447 flat angles P-C4'-P energy: -33.434 tors. eta vs tors. theta energy: -51.361 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: 10 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -667.125989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.125989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.125989 (E_RNA) where: Base-Base interactions energy: -406.018 where: short stacking energy: -201.214 Base-Backbone interact. energy: 0.179 local terms energy: -261.286601 where: bonds (distance) C4'-P energy: -55.989 bonds (distance) P-C4' energy: -56.399 flat angles C4'-P-C4' energy: -53.540 flat angles P-C4'-P energy: -39.940 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: 8, replica: 6 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -535.561478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.561478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.561478 (E_RNA) where: Base-Base interactions energy: -314.000 where: short stacking energy: -152.287 Base-Backbone interact. energy: 1.813 local terms energy: -223.373930 where: bonds (distance) C4'-P energy: -41.408 bonds (distance) P-C4' energy: -57.025 flat angles C4'-P-C4' energy: -62.725 flat angles P-C4'-P energy: -37.568 tors. eta vs tors. theta energy: -24.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -526.650137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.650137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.650137 (E_RNA) where: Base-Base interactions energy: -307.281 where: short stacking energy: -147.709 Base-Backbone interact. energy: 0.247 local terms energy: -219.615974 where: bonds (distance) C4'-P energy: -50.487 bonds (distance) P-C4' energy: -60.903 flat angles C4'-P-C4' energy: -46.168 flat angles P-C4'-P energy: -38.938 tors. eta vs tors. theta energy: -23.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -537.447585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.447585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.447585 (E_RNA) where: Base-Base interactions energy: -312.967 where: short stacking energy: -154.169 Base-Backbone interact. energy: -0.528 local terms energy: -223.952650 where: bonds (distance) C4'-P energy: -53.547 bonds (distance) P-C4' energy: -53.390 flat angles C4'-P-C4' energy: -57.104 flat angles P-C4'-P energy: -29.909 tors. eta vs tors. theta energy: -30.003 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: 2 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -1199.643717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.643717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.643717 (E_RNA) where: Base-Base interactions energy: -820.292 where: short stacking energy: -360.396 Base-Backbone interact. energy: -0.011 local terms energy: -379.340958 where: bonds (distance) C4'-P energy: -70.686 bonds (distance) P-C4' energy: -64.051 flat angles C4'-P-C4' energy: -70.384 flat angles P-C4'-P energy: -56.466 tors. eta vs tors. theta energy: -117.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -1091.648323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.648323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.648323 (E_RNA) where: Base-Base interactions energy: -746.744 where: short stacking energy: -312.684 Base-Backbone interact. energy: 1.408 local terms energy: -346.311656 where: bonds (distance) C4'-P energy: -64.043 bonds (distance) P-C4' energy: -65.915 flat angles C4'-P-C4' energy: -73.778 flat angles P-C4'-P energy: -48.423 tors. eta vs tors. theta energy: -94.153 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: 1 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -1031.023394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.023394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.023394 (E_RNA) where: Base-Base interactions energy: -694.487 where: short stacking energy: -298.631 Base-Backbone interact. energy: -1.141 local terms energy: -335.395566 where: bonds (distance) C4'-P energy: -56.360 bonds (distance) P-C4' energy: -71.098 flat angles C4'-P-C4' energy: -58.570 flat angles P-C4'-P energy: -55.589 tors. eta vs tors. theta energy: -93.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -1026.117008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.117008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.117008 (E_RNA) where: Base-Base interactions energy: -727.097 where: short stacking energy: -316.883 Base-Backbone interact. energy: -0.049 local terms energy: -298.970316 where: bonds (distance) C4'-P energy: -53.896 bonds (distance) P-C4' energy: -49.197 flat angles C4'-P-C4' energy: -57.594 flat angles P-C4'-P energy: -56.727 tors. eta vs tors. theta energy: -81.556 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: 5, replica: 3 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -988.468159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.468159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.468159 (E_RNA) where: Base-Base interactions energy: -678.173 where: short stacking energy: -287.204 Base-Backbone interact. energy: -1.106 local terms energy: -309.189014 where: bonds (distance) C4'-P energy: -51.197 bonds (distance) P-C4' energy: -64.131 flat angles C4'-P-C4' energy: -67.395 flat angles P-C4'-P energy: -40.134 tors. eta vs tors. theta energy: -86.332 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: 4 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -757.013675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.013675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.013675 (E_RNA) where: Base-Base interactions energy: -492.127 where: short stacking energy: -224.766 Base-Backbone interact. energy: 0.427 local terms energy: -265.313760 where: bonds (distance) C4'-P energy: -54.418 bonds (distance) P-C4' energy: -53.051 flat angles C4'-P-C4' energy: -61.718 flat angles P-C4'-P energy: -39.774 tors. eta vs tors. theta energy: -56.352 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: 10 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -709.746463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.746463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.746463 (E_RNA) where: Base-Base interactions energy: -448.308 where: short stacking energy: -197.828 Base-Backbone interact. energy: 0.202 local terms energy: -261.640371 where: bonds (distance) C4'-P energy: -60.925 bonds (distance) P-C4' energy: -57.687 flat angles C4'-P-C4' energy: -60.152 flat angles P-C4'-P energy: -32.982 tors. eta vs tors. theta energy: -49.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -555.674206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.674206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.674206 (E_RNA) where: Base-Base interactions energy: -319.641 where: short stacking energy: -162.478 Base-Backbone interact. energy: -0.888 local terms energy: -235.145260 where: bonds (distance) C4'-P energy: -47.115 bonds (distance) P-C4' energy: -58.115 flat angles C4'-P-C4' energy: -58.692 flat angles P-C4'-P energy: -35.799 tors. eta vs tors. theta energy: -35.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -508.691906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.691906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.691906 (E_RNA) where: Base-Base interactions energy: -294.096 where: short stacking energy: -142.614 Base-Backbone interact. energy: -0.877 local terms energy: -213.718759 where: bonds (distance) C4'-P energy: -49.371 bonds (distance) P-C4' energy: -52.212 flat angles C4'-P-C4' energy: -55.214 flat angles P-C4'-P energy: -33.158 tors. eta vs tors. theta energy: -23.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -493.510841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.510841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.510841 (E_RNA) where: Base-Base interactions energy: -301.123 where: short stacking energy: -147.093 Base-Backbone interact. energy: -0.732 local terms energy: -191.655710 where: bonds (distance) C4'-P energy: -40.105 bonds (distance) P-C4' energy: -51.853 flat angles C4'-P-C4' energy: -51.199 flat angles P-C4'-P energy: -18.694 tors. eta vs tors. theta energy: -29.804 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: 2 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -1187.512985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.512985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.512985 (E_RNA) where: Base-Base interactions energy: -824.051 where: short stacking energy: -371.412 Base-Backbone interact. energy: -1.742 local terms energy: -361.719319 where: bonds (distance) C4'-P energy: -59.371 bonds (distance) P-C4' energy: -63.464 flat angles C4'-P-C4' energy: -75.320 flat angles P-C4'-P energy: -52.584 tors. eta vs tors. theta energy: -110.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -1114.058152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.058152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.058152 (E_RNA) where: Base-Base interactions energy: -775.515 where: short stacking energy: -335.599 Base-Backbone interact. energy: -0.951 local terms energy: -337.592510 where: bonds (distance) C4'-P energy: -64.077 bonds (distance) P-C4' energy: -63.576 flat angles C4'-P-C4' energy: -76.711 flat angles P-C4'-P energy: -40.611 tors. eta vs tors. theta energy: -92.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -1033.732434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.732434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.732434 (E_RNA) where: Base-Base interactions energy: -725.142 where: short stacking energy: -314.957 Base-Backbone interact. energy: -1.038 local terms energy: -307.552869 where: bonds (distance) C4'-P energy: -55.484 bonds (distance) P-C4' energy: -54.995 flat angles C4'-P-C4' energy: -68.850 flat angles P-C4'-P energy: -39.108 tors. eta vs tors. theta energy: -89.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -1036.445653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.445653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.445653 (E_RNA) where: Base-Base interactions energy: -709.713 where: short stacking energy: -311.245 Base-Backbone interact. energy: -2.406 local terms energy: -324.326771 where: bonds (distance) C4'-P energy: -54.235 bonds (distance) P-C4' energy: -60.526 flat angles C4'-P-C4' energy: -73.177 flat angles P-C4'-P energy: -47.620 tors. eta vs tors. theta energy: -88.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -1001.589335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.589335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.589335 (E_RNA) where: Base-Base interactions energy: -671.628 where: short stacking energy: -288.761 Base-Backbone interact. energy: -2.281 local terms energy: -327.679713 where: bonds (distance) C4'-P energy: -64.002 bonds (distance) P-C4' energy: -58.416 flat angles C4'-P-C4' energy: -71.416 flat angles P-C4'-P energy: -50.709 tors. eta vs tors. theta energy: -83.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -797.094246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.094246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.094246 (E_RNA) where: Base-Base interactions energy: -520.056 where: short stacking energy: -245.972 Base-Backbone interact. energy: -0.766 local terms energy: -276.271365 where: bonds (distance) C4'-P energy: -55.375 bonds (distance) P-C4' energy: -57.716 flat angles C4'-P-C4' energy: -63.285 flat angles P-C4'-P energy: -36.917 tors. eta vs tors. theta energy: -62.979 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: 10 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -725.136391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.136391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.136391 (E_RNA) where: Base-Base interactions energy: -470.018 where: short stacking energy: -224.460 Base-Backbone interact. energy: 0.225 local terms energy: -255.343544 where: bonds (distance) C4'-P energy: -37.266 bonds (distance) P-C4' energy: -54.520 flat angles C4'-P-C4' energy: -59.158 flat angles P-C4'-P energy: -43.480 tors. eta vs tors. theta energy: -60.920 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: 9 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -536.272659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.272659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.272659 (E_RNA) where: Base-Base interactions energy: -325.019 where: short stacking energy: -162.800 Base-Backbone interact. energy: -2.667 local terms energy: -208.586405 where: bonds (distance) C4'-P energy: -49.241 bonds (distance) P-C4' energy: -56.578 flat angles C4'-P-C4' energy: -36.916 flat angles P-C4'-P energy: -34.612 tors. eta vs tors. theta energy: -31.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -572.623025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.623025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.623025 (E_RNA) where: Base-Base interactions energy: -342.300 where: short stacking energy: -165.113 Base-Backbone interact. energy: -1.241 local terms energy: -229.082031 where: bonds (distance) C4'-P energy: -48.849 bonds (distance) P-C4' energy: -61.722 flat angles C4'-P-C4' energy: -55.334 flat angles P-C4'-P energy: -26.889 tors. eta vs tors. theta energy: -36.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -522.192668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.192668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.192668 (E_RNA) where: Base-Base interactions energy: -322.215 where: short stacking energy: -157.370 Base-Backbone interact. energy: 0.881 local terms energy: -200.858546 where: bonds (distance) C4'-P energy: -56.613 bonds (distance) P-C4' energy: -54.557 flat angles C4'-P-C4' energy: -49.473 flat angles P-C4'-P energy: -17.314 tors. eta vs tors. theta energy: -22.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -1190.726764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.726764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.726764 (E_RNA) where: Base-Base interactions energy: -822.244 where: short stacking energy: -344.096 Base-Backbone interact. energy: -1.045 local terms energy: -367.438430 where: bonds (distance) C4'-P energy: -57.223 bonds (distance) P-C4' energy: -63.279 flat angles C4'-P-C4' energy: -72.347 flat angles P-C4'-P energy: -56.957 tors. eta vs tors. theta energy: -117.633 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: 8 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -1107.454369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.454369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.454369 (E_RNA) where: Base-Base interactions energy: -772.018 where: short stacking energy: -322.084 Base-Backbone interact. energy: -1.942 local terms energy: -333.494520 where: bonds (distance) C4'-P energy: -62.326 bonds (distance) P-C4' energy: -52.468 flat angles C4'-P-C4' energy: -77.680 flat angles P-C4'-P energy: -42.591 tors. eta vs tors. theta energy: -98.430 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: 1 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -1047.724026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.724026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.724026 (E_RNA) where: Base-Base interactions energy: -723.018 where: short stacking energy: -320.279 Base-Backbone interact. energy: -0.498 local terms energy: -324.207626 where: bonds (distance) C4'-P energy: -56.293 bonds (distance) P-C4' energy: -59.349 flat angles C4'-P-C4' energy: -73.883 flat angles P-C4'-P energy: -41.754 tors. eta vs tors. theta energy: -92.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -973.231564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.231564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.231564 (E_RNA) where: Base-Base interactions energy: -659.676 where: short stacking energy: -288.856 Base-Backbone interact. energy: -1.750 local terms energy: -311.806140 where: bonds (distance) C4'-P energy: -55.472 bonds (distance) P-C4' energy: -63.127 flat angles C4'-P-C4' energy: -58.670 flat angles P-C4'-P energy: -49.299 tors. eta vs tors. theta energy: -85.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -971.871372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.871372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.871372 (E_RNA) where: Base-Base interactions energy: -663.055 where: short stacking energy: -276.679 Base-Backbone interact. energy: -1.236 local terms energy: -307.580695 where: bonds (distance) C4'-P energy: -61.949 bonds (distance) P-C4' energy: -54.668 flat angles C4'-P-C4' energy: -70.877 flat angles P-C4'-P energy: -42.722 tors. eta vs tors. theta energy: -77.365 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: 352 Temperature: 1.150000 Total energy: -791.517535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.517535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.517535 (E_RNA) where: Base-Base interactions energy: -497.574 where: short stacking energy: -230.859 Base-Backbone interact. energy: -0.498 local terms energy: -293.445550 where: bonds (distance) C4'-P energy: -63.217 bonds (distance) P-C4' energy: -60.651 flat angles C4'-P-C4' energy: -61.222 flat angles P-C4'-P energy: -39.467 tors. eta vs tors. theta energy: -68.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -697.761492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.761492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.761492 (E_RNA) where: Base-Base interactions energy: -432.317 where: short stacking energy: -203.595 Base-Backbone interact. energy: -1.047 local terms energy: -264.397802 where: bonds (distance) C4'-P energy: -53.806 bonds (distance) P-C4' energy: -62.783 flat angles C4'-P-C4' energy: -61.480 flat angles P-C4'-P energy: -39.640 tors. eta vs tors. theta energy: -46.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -576.233614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.233614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.233614 (E_RNA) where: Base-Base interactions energy: -365.899 where: short stacking energy: -173.073 Base-Backbone interact. energy: -1.778 local terms energy: -208.556604 where: bonds (distance) C4'-P energy: -52.365 bonds (distance) P-C4' energy: -50.551 flat angles C4'-P-C4' energy: -45.336 flat angles P-C4'-P energy: -28.537 tors. eta vs tors. theta energy: -31.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -542.506602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.506602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.506602 (E_RNA) where: Base-Base interactions energy: -320.106 where: short stacking energy: -165.038 Base-Backbone interact. energy: 0.204 local terms energy: -222.604760 where: bonds (distance) C4'-P energy: -55.653 bonds (distance) P-C4' energy: -54.858 flat angles C4'-P-C4' energy: -53.107 flat angles P-C4'-P energy: -32.424 tors. eta vs tors. theta energy: -26.563 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: 6 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -535.470683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.470683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.470683 (E_RNA) where: Base-Base interactions energy: -309.335 where: short stacking energy: -159.454 Base-Backbone interact. energy: -0.682 local terms energy: -225.453698 where: bonds (distance) C4'-P energy: -50.560 bonds (distance) P-C4' energy: -63.879 flat angles C4'-P-C4' energy: -40.893 flat angles P-C4'-P energy: -35.446 tors. eta vs tors. theta energy: -34.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -1199.279807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.279807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.279807 (E_RNA) where: Base-Base interactions energy: -839.453 where: short stacking energy: -364.890 Base-Backbone interact. energy: 0.185 local terms energy: -360.011280 where: bonds (distance) C4'-P energy: -62.331 bonds (distance) P-C4' energy: -54.395 flat angles C4'-P-C4' energy: -77.512 flat angles P-C4'-P energy: -53.679 tors. eta vs tors. theta energy: -112.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -1108.982138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.982138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.982138 (E_RNA) where: Base-Base interactions energy: -769.422 where: short stacking energy: -319.764 Base-Backbone interact. energy: -1.255 local terms energy: -338.304858 where: bonds (distance) C4'-P energy: -65.805 bonds (distance) P-C4' energy: -61.325 flat angles C4'-P-C4' energy: -67.761 flat angles P-C4'-P energy: -47.277 tors. eta vs tors. theta energy: -96.137 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: 353 Temperature: 1.000000 Total energy: -1040.307690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.307690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.307690 (E_RNA) where: Base-Base interactions energy: -715.003 where: short stacking energy: -306.329 Base-Backbone interact. energy: -0.450 local terms energy: -324.855256 where: bonds (distance) C4'-P energy: -59.267 bonds (distance) P-C4' energy: -56.883 flat angles C4'-P-C4' energy: -67.419 flat angles P-C4'-P energy: -47.655 tors. eta vs tors. theta energy: -93.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -1018.473706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.473706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.473706 (E_RNA) where: Base-Base interactions energy: -687.784 where: short stacking energy: -305.351 Base-Backbone interact. energy: -0.299 local terms energy: -330.391375 where: bonds (distance) C4'-P energy: -55.635 bonds (distance) P-C4' energy: -51.473 flat angles C4'-P-C4' energy: -74.980 flat angles P-C4'-P energy: -53.731 tors. eta vs tors. theta energy: -94.572 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: 3 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -988.923788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.923788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.923788 (E_RNA) where: Base-Base interactions energy: -685.672 where: short stacking energy: -289.275 Base-Backbone interact. energy: -1.802 local terms energy: -301.450178 where: bonds (distance) C4'-P energy: -61.380 bonds (distance) P-C4' energy: -52.921 flat angles C4'-P-C4' energy: -69.702 flat angles P-C4'-P energy: -39.775 tors. eta vs tors. theta energy: -77.671 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: 353 Temperature: 1.150000 Total energy: -849.137619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.137619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.137619 (E_RNA) where: Base-Base interactions energy: -574.827 where: short stacking energy: -257.342 Base-Backbone interact. energy: -0.485 local terms energy: -273.825950 where: bonds (distance) C4'-P energy: -49.290 bonds (distance) P-C4' energy: -60.402 flat angles C4'-P-C4' energy: -52.563 flat angles P-C4'-P energy: -43.166 tors. eta vs tors. theta energy: -68.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -709.878207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.878207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.878207 (E_RNA) where: Base-Base interactions energy: -453.161 where: short stacking energy: -230.429 Base-Backbone interact. energy: -0.245 local terms energy: -256.472145 where: bonds (distance) C4'-P energy: -56.560 bonds (distance) P-C4' energy: -52.356 flat angles C4'-P-C4' energy: -59.003 flat angles P-C4'-P energy: -38.690 tors. eta vs tors. theta energy: -49.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -562.715814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.715814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.715814 (E_RNA) where: Base-Base interactions energy: -342.851 where: short stacking energy: -172.979 Base-Backbone interact. energy: 1.873 local terms energy: -221.738669 where: bonds (distance) C4'-P energy: -46.391 bonds (distance) P-C4' energy: -53.340 flat angles C4'-P-C4' energy: -57.215 flat angles P-C4'-P energy: -33.299 tors. eta vs tors. theta energy: -31.494 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: 9 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -563.361887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.361887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.361887 (E_RNA) where: Base-Base interactions energy: -340.280 where: short stacking energy: -163.717 Base-Backbone interact. energy: 0.030 local terms energy: -223.112715 where: bonds (distance) C4'-P energy: -55.141 bonds (distance) P-C4' energy: -48.134 flat angles C4'-P-C4' energy: -50.708 flat angles P-C4'-P energy: -37.329 tors. eta vs tors. theta energy: -31.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -494.738373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.738373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.738373 (E_RNA) where: Base-Base interactions energy: -293.803 where: short stacking energy: -151.236 Base-Backbone interact. energy: 3.385 local terms energy: -204.320157 where: bonds (distance) C4'-P energy: -48.546 bonds (distance) P-C4' energy: -47.990 flat angles C4'-P-C4' energy: -56.600 flat angles P-C4'-P energy: -26.711 tors. eta vs tors. theta energy: -24.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -1196.624486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.624486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.624486 (E_RNA) where: Base-Base interactions energy: -825.989 where: short stacking energy: -375.745 Base-Backbone interact. energy: -0.340 local terms energy: -370.295888 where: bonds (distance) C4'-P energy: -67.562 bonds (distance) P-C4' energy: -67.090 flat angles C4'-P-C4' energy: -70.346 flat angles P-C4'-P energy: -50.807 tors. eta vs tors. theta energy: -114.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -1106.299467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.299467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.299467 (E_RNA) where: Base-Base interactions energy: -761.488 where: short stacking energy: -314.399 Base-Backbone interact. energy: -3.042 local terms energy: -341.769393 where: bonds (distance) C4'-P energy: -58.811 bonds (distance) P-C4' energy: -65.100 flat angles C4'-P-C4' energy: -69.677 flat angles P-C4'-P energy: -50.392 tors. eta vs tors. theta energy: -97.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -1048.277104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.277104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.277104 (E_RNA) where: Base-Base interactions energy: -710.282 where: short stacking energy: -305.848 Base-Backbone interact. energy: -0.296 local terms energy: -337.699041 where: bonds (distance) C4'-P energy: -56.471 bonds (distance) P-C4' energy: -67.707 flat angles C4'-P-C4' energy: -71.263 flat angles P-C4'-P energy: -41.885 tors. eta vs tors. theta energy: -100.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -1015.110828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.110828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.110828 (E_RNA) where: Base-Base interactions energy: -689.763 where: short stacking energy: -298.295 Base-Backbone interact. energy: -1.072 local terms energy: -324.276159 where: bonds (distance) C4'-P energy: -59.798 bonds (distance) P-C4' energy: -58.536 flat angles C4'-P-C4' energy: -75.448 flat angles P-C4'-P energy: -40.301 tors. eta vs tors. theta energy: -90.193 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: 3 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -966.189905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.189905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.189905 (E_RNA) where: Base-Base interactions energy: -661.664 where: short stacking energy: -289.836 Base-Backbone interact. energy: -1.235 local terms energy: -303.291440 where: bonds (distance) C4'-P energy: -56.307 bonds (distance) P-C4' energy: -51.053 flat angles C4'-P-C4' energy: -67.670 flat angles P-C4'-P energy: -45.960 tors. eta vs tors. theta energy: -82.301 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: 354 Temperature: 1.150000 Total energy: -902.134419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.134419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.134419 (E_RNA) where: Base-Base interactions energy: -622.239 where: short stacking energy: -267.759 Base-Backbone interact. energy: -3.516 local terms energy: -276.379692 where: bonds (distance) C4'-P energy: -53.876 bonds (distance) P-C4' energy: -53.097 flat angles C4'-P-C4' energy: -57.323 flat angles P-C4'-P energy: -38.082 tors. eta vs tors. theta energy: -74.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -695.970577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.970577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.970577 (E_RNA) where: Base-Base interactions energy: -426.752 where: short stacking energy: -200.023 Base-Backbone interact. energy: -1.633 local terms energy: -267.585568 where: bonds (distance) C4'-P energy: -49.397 bonds (distance) P-C4' energy: -62.167 flat angles C4'-P-C4' energy: -54.338 flat angles P-C4'-P energy: -40.144 tors. eta vs tors. theta energy: -61.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -608.956916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.956916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.956916 (E_RNA) where: Base-Base interactions energy: -365.235 where: short stacking energy: -178.440 Base-Backbone interact. energy: 0.490 local terms energy: -244.212593 where: bonds (distance) C4'-P energy: -50.950 bonds (distance) P-C4' energy: -69.763 flat angles C4'-P-C4' energy: -56.975 flat angles P-C4'-P energy: -29.960 tors. eta vs tors. theta energy: -36.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -548.906260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.906260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.906260 (E_RNA) where: Base-Base interactions energy: -318.376 where: short stacking energy: -153.127 Base-Backbone interact. energy: -1.501 local terms energy: -229.028818 where: bonds (distance) C4'-P energy: -58.998 bonds (distance) P-C4' energy: -56.058 flat angles C4'-P-C4' energy: -60.273 flat angles P-C4'-P energy: -29.425 tors. eta vs tors. theta energy: -24.274 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: 6 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -524.356433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.356433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.356433 (E_RNA) where: Base-Base interactions energy: -311.195 where: short stacking energy: -144.505 Base-Backbone interact. energy: 0.561 local terms energy: -213.722071 where: bonds (distance) C4'-P energy: -53.033 bonds (distance) P-C4' energy: -56.757 flat angles C4'-P-C4' energy: -46.784 flat angles P-C4'-P energy: -33.352 tors. eta vs tors. theta energy: -23.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -1190.088028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.088028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.088028 (E_RNA) where: Base-Base interactions energy: -820.789 where: short stacking energy: -354.728 Base-Backbone interact. energy: -1.804 local terms energy: -367.494840 where: bonds (distance) C4'-P energy: -65.300 bonds (distance) P-C4' energy: -65.702 flat angles C4'-P-C4' energy: -72.955 flat angles P-C4'-P energy: -49.818 tors. eta vs tors. theta energy: -113.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -1114.117670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.117670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.117670 (E_RNA) where: Base-Base interactions energy: -787.313 where: short stacking energy: -336.547 Base-Backbone interact. energy: -2.848 local terms energy: -323.957193 where: bonds (distance) C4'-P energy: -64.769 bonds (distance) P-C4' energy: -50.566 flat angles C4'-P-C4' energy: -65.816 flat angles P-C4'-P energy: -40.726 tors. eta vs tors. theta energy: -102.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -1026.789068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.789068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.789068 (E_RNA) where: Base-Base interactions energy: -705.734 where: short stacking energy: -303.498 Base-Backbone interact. energy: -0.833 local terms energy: -320.221481 where: bonds (distance) C4'-P energy: -50.878 bonds (distance) P-C4' energy: -60.514 flat angles C4'-P-C4' energy: -70.540 flat angles P-C4'-P energy: -40.786 tors. eta vs tors. theta energy: -97.503 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: 4, replica: 5 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -1021.227193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.227193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.227193 (E_RNA) where: Base-Base interactions energy: -703.870 where: short stacking energy: -316.870 Base-Backbone interact. energy: 0.086 local terms energy: -317.443398 where: bonds (distance) C4'-P energy: -52.201 bonds (distance) P-C4' energy: -64.076 flat angles C4'-P-C4' energy: -67.376 flat angles P-C4'-P energy: -43.971 tors. eta vs tors. theta energy: -89.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -960.931772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.931772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.931772 (E_RNA) where: Base-Base interactions energy: -669.297 where: short stacking energy: -284.842 Base-Backbone interact. energy: 4.293 local terms energy: -295.928725 where: bonds (distance) C4'-P energy: -50.470 bonds (distance) P-C4' energy: -62.852 flat angles C4'-P-C4' energy: -57.950 flat angles P-C4'-P energy: -44.268 tors. eta vs tors. theta energy: -80.390 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: 4 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -907.776721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.776721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.776721 (E_RNA) where: Base-Base interactions energy: -622.242 where: short stacking energy: -287.926 Base-Backbone interact. energy: -1.692 local terms energy: -283.842718 where: bonds (distance) C4'-P energy: -46.663 bonds (distance) P-C4' energy: -48.468 flat angles C4'-P-C4' energy: -63.952 flat angles P-C4'-P energy: -37.540 tors. eta vs tors. theta energy: -87.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -701.584311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.584311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.584311 (E_RNA) where: Base-Base interactions energy: -458.141 where: short stacking energy: -224.969 Base-Backbone interact. energy: 0.359 local terms energy: -243.801484 where: bonds (distance) C4'-P energy: -48.417 bonds (distance) P-C4' energy: -51.239 flat angles C4'-P-C4' energy: -54.489 flat angles P-C4'-P energy: -32.456 tors. eta vs tors. theta energy: -57.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -606.552359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.552359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.552359 (E_RNA) where: Base-Base interactions energy: -357.788 where: short stacking energy: -174.493 Base-Backbone interact. energy: -2.186 local terms energy: -246.578784 where: bonds (distance) C4'-P energy: -56.575 bonds (distance) P-C4' energy: -57.106 flat angles C4'-P-C4' energy: -55.891 flat angles P-C4'-P energy: -43.048 tors. eta vs tors. theta energy: -33.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -579.638835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.638835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.638835 (E_RNA) where: Base-Base interactions energy: -352.159 where: short stacking energy: -179.529 Base-Backbone interact. energy: 2.566 local terms energy: -230.045608 where: bonds (distance) C4'-P energy: -52.010 bonds (distance) P-C4' energy: -55.420 flat angles C4'-P-C4' energy: -51.389 flat angles P-C4'-P energy: -34.512 tors. eta vs tors. theta energy: -36.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -534.934347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.934347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.934347 (E_RNA) where: Base-Base interactions energy: -318.672 where: short stacking energy: -156.517 Base-Backbone interact. energy: -0.891 local terms energy: -215.371442 where: bonds (distance) C4'-P energy: -47.976 bonds (distance) P-C4' energy: -68.826 flat angles C4'-P-C4' energy: -40.428 flat angles P-C4'-P energy: -43.843 tors. eta vs tors. theta energy: -14.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -1186.356295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.356295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.356295 (E_RNA) where: Base-Base interactions energy: -826.894 where: short stacking energy: -357.190 Base-Backbone interact. energy: -1.151 local terms energy: -358.311400 where: bonds (distance) C4'-P energy: -59.535 bonds (distance) P-C4' energy: -59.047 flat angles C4'-P-C4' energy: -75.418 flat angles P-C4'-P energy: -52.361 tors. eta vs tors. theta energy: -111.951 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: 8 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -1114.847799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.847799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.847799 (E_RNA) where: Base-Base interactions energy: -791.058 where: short stacking energy: -315.268 Base-Backbone interact. energy: 0.559 local terms energy: -324.348500 where: bonds (distance) C4'-P energy: -50.970 bonds (distance) P-C4' energy: -59.758 flat angles C4'-P-C4' energy: -69.352 flat angles P-C4'-P energy: -45.484 tors. eta vs tors. theta energy: -98.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -1023.900667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.900667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.900667 (E_RNA) where: Base-Base interactions energy: -697.758 where: short stacking energy: -311.765 Base-Backbone interact. energy: -0.344 local terms energy: -325.798509 where: bonds (distance) C4'-P energy: -60.716 bonds (distance) P-C4' energy: -63.194 flat angles C4'-P-C4' energy: -67.353 flat angles P-C4'-P energy: -40.689 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: 4, replica: 5 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -1036.317663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.317663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.317663 (E_RNA) where: Base-Base interactions energy: -727.660 where: short stacking energy: -318.309 Base-Backbone interact. energy: -2.237 local terms energy: -306.420773 where: bonds (distance) C4'-P energy: -48.557 bonds (distance) P-C4' energy: -57.647 flat angles C4'-P-C4' energy: -67.511 flat angles P-C4'-P energy: -42.718 tors. eta vs tors. theta energy: -89.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -925.649325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.649325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.649325 (E_RNA) where: Base-Base interactions energy: -625.585 where: short stacking energy: -267.711 Base-Backbone interact. energy: -1.495 local terms energy: -298.569645 where: bonds (distance) C4'-P energy: -59.579 bonds (distance) P-C4' energy: -61.678 flat angles C4'-P-C4' energy: -61.210 flat angles P-C4'-P energy: -44.310 tors. eta vs tors. theta energy: -71.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -935.473608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.473608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.473608 (E_RNA) where: Base-Base interactions energy: -654.165 where: short stacking energy: -290.522 Base-Backbone interact. energy: 0.680 local terms energy: -281.989120 where: bonds (distance) C4'-P energy: -48.945 bonds (distance) P-C4' energy: -55.323 flat angles C4'-P-C4' energy: -55.090 flat angles P-C4'-P energy: -48.605 tors. eta vs tors. theta energy: -74.025 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: 10 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -680.883719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.883719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.883719 (E_RNA) where: Base-Base interactions energy: -418.946 where: short stacking energy: -209.576 Base-Backbone interact. energy: 1.425 local terms energy: -263.362627 where: bonds (distance) C4'-P energy: -59.107 bonds (distance) P-C4' energy: -57.451 flat angles C4'-P-C4' energy: -66.794 flat angles P-C4'-P energy: -36.033 tors. eta vs tors. theta energy: -43.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -601.512943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.512943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.512943 (E_RNA) where: Base-Base interactions energy: -368.445 where: short stacking energy: -187.297 Base-Backbone interact. energy: -0.109 local terms energy: -232.958616 where: bonds (distance) C4'-P energy: -59.625 bonds (distance) P-C4' energy: -55.153 flat angles C4'-P-C4' energy: -55.404 flat angles P-C4'-P energy: -31.798 tors. eta vs tors. theta energy: -30.979 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: 6 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -534.971306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.971306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.971306 (E_RNA) where: Base-Base interactions energy: -312.738 where: short stacking energy: -142.396 Base-Backbone interact. energy: -2.756 local terms energy: -219.477041 where: bonds (distance) C4'-P energy: -52.026 bonds (distance) P-C4' energy: -42.807 flat angles C4'-P-C4' energy: -60.495 flat angles P-C4'-P energy: -40.068 tors. eta vs tors. theta energy: -24.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -575.942025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.942025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.942025 (E_RNA) where: Base-Base interactions energy: -353.998 where: short stacking energy: -161.701 Base-Backbone interact. energy: 3.774 local terms energy: -225.718280 where: bonds (distance) C4'-P energy: -49.550 bonds (distance) P-C4' energy: -52.054 flat angles C4'-P-C4' energy: -58.969 flat angles P-C4'-P energy: -36.028 tors. eta vs tors. theta energy: -29.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -1204.769451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.769451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.769451 (E_RNA) where: Base-Base interactions energy: -837.493 where: short stacking energy: -367.828 Base-Backbone interact. energy: -1.275 local terms energy: -366.000983 where: bonds (distance) C4'-P energy: -57.029 bonds (distance) P-C4' energy: -61.984 flat angles C4'-P-C4' energy: -73.726 flat angles P-C4'-P energy: -59.818 tors. eta vs tors. theta energy: -113.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -1106.888621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.888621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.888621 (E_RNA) where: Base-Base interactions energy: -764.684 where: short stacking energy: -312.394 Base-Backbone interact. energy: -1.947 local terms energy: -340.257860 where: bonds (distance) C4'-P energy: -61.453 bonds (distance) P-C4' energy: -59.845 flat angles C4'-P-C4' energy: -72.953 flat angles P-C4'-P energy: -47.453 tors. eta vs tors. theta energy: -98.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -1029.311341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.311341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.311341 (E_RNA) where: Base-Base interactions energy: -690.977 where: short stacking energy: -314.269 Base-Backbone interact. energy: -1.167 local terms energy: -337.167164 where: bonds (distance) C4'-P energy: -64.605 bonds (distance) P-C4' energy: -65.092 flat angles C4'-P-C4' energy: -67.093 flat angles P-C4'-P energy: -47.504 tors. eta vs tors. theta energy: -92.873 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: 5 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -1000.975650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.975650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.975650 (E_RNA) where: Base-Base interactions energy: -690.861 where: short stacking energy: -321.413 Base-Backbone interact. energy: 0.086 local terms energy: -310.200196 where: bonds (distance) C4'-P energy: -58.599 bonds (distance) P-C4' energy: -50.085 flat angles C4'-P-C4' energy: -64.364 flat angles P-C4'-P energy: -42.479 tors. eta vs tors. theta energy: -94.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -933.918600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.918600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.918600 (E_RNA) where: Base-Base interactions energy: -630.976 where: short stacking energy: -275.211 Base-Backbone interact. energy: 0.686 local terms energy: -303.629128 where: bonds (distance) C4'-P energy: -52.260 bonds (distance) P-C4' energy: -62.228 flat angles C4'-P-C4' energy: -64.841 flat angles P-C4'-P energy: -42.545 tors. eta vs tors. theta energy: -81.755 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: 6, replica: 3 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -927.575586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.575586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.575586 (E_RNA) where: Base-Base interactions energy: -632.035 where: short stacking energy: -273.724 Base-Backbone interact. energy: 4.352 local terms energy: -299.892423 where: bonds (distance) C4'-P energy: -57.062 bonds (distance) P-C4' energy: -55.246 flat angles C4'-P-C4' energy: -62.555 flat angles P-C4'-P energy: -42.592 tors. eta vs tors. theta energy: -82.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -676.567691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.567691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.567691 (E_RNA) where: Base-Base interactions energy: -423.345 where: short stacking energy: -207.173 Base-Backbone interact. energy: 0.567 local terms energy: -253.789680 where: bonds (distance) C4'-P energy: -41.359 bonds (distance) P-C4' energy: -56.155 flat angles C4'-P-C4' energy: -64.277 flat angles P-C4'-P energy: -37.210 tors. eta vs tors. theta energy: -54.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -620.930037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.930037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.930037 (E_RNA) where: Base-Base interactions energy: -383.626 where: short stacking energy: -167.658 Base-Backbone interact. energy: 1.098 local terms energy: -238.402091 where: bonds (distance) C4'-P energy: -60.655 bonds (distance) P-C4' energy: -63.140 flat angles C4'-P-C4' energy: -49.829 flat angles P-C4'-P energy: -33.134 tors. eta vs tors. theta energy: -31.644 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: 9, replica: 6 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -544.956932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.956932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.956932 (E_RNA) where: Base-Base interactions energy: -310.646 where: short stacking energy: -153.820 Base-Backbone interact. energy: 2.791 local terms energy: -237.101576 where: bonds (distance) C4'-P energy: -62.266 bonds (distance) P-C4' energy: -58.434 flat angles C4'-P-C4' energy: -57.206 flat angles P-C4'-P energy: -37.483 tors. eta vs tors. theta energy: -21.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -524.057547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.057547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.057547 (E_RNA) where: Base-Base interactions energy: -313.223 where: short stacking energy: -156.188 Base-Backbone interact. energy: -1.791 local terms energy: -209.043562 where: bonds (distance) C4'-P energy: -43.151 bonds (distance) P-C4' energy: -58.064 flat angles C4'-P-C4' energy: -44.941 flat angles P-C4'-P energy: -34.678 tors. eta vs tors. theta energy: -28.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -1209.620939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.620939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.620939 (E_RNA) where: Base-Base interactions energy: -833.164 where: short stacking energy: -366.526 Base-Backbone interact. energy: -0.600 local terms energy: -375.856914 where: bonds (distance) C4'-P energy: -65.659 bonds (distance) P-C4' energy: -67.120 flat angles C4'-P-C4' energy: -72.388 flat angles P-C4'-P energy: -53.932 tors. eta vs tors. theta energy: -116.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -1107.689147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.689147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.689147 (E_RNA) where: Base-Base interactions energy: -763.914 where: short stacking energy: -298.219 Base-Backbone interact. energy: -1.589 local terms energy: -342.185765 where: bonds (distance) C4'-P energy: -69.047 bonds (distance) P-C4' energy: -62.939 flat angles C4'-P-C4' energy: -72.888 flat angles P-C4'-P energy: -43.730 tors. eta vs tors. theta energy: -93.582 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: 1 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -1015.102414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.102414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.102414 (E_RNA) where: Base-Base interactions energy: -671.525 where: short stacking energy: -301.467 Base-Backbone interact. energy: -0.142 local terms energy: -343.435459 where: bonds (distance) C4'-P energy: -60.957 bonds (distance) P-C4' energy: -67.694 flat angles C4'-P-C4' energy: -74.858 flat angles P-C4'-P energy: -49.571 tors. eta vs tors. theta energy: -90.356 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: 5 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -989.581204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.581204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.581204 (E_RNA) where: Base-Base interactions energy: -678.903 where: short stacking energy: -298.788 Base-Backbone interact. energy: -1.683 local terms energy: -308.994615 where: bonds (distance) C4'-P energy: -54.979 bonds (distance) P-C4' energy: -58.094 flat angles C4'-P-C4' energy: -61.252 flat angles P-C4'-P energy: -50.192 tors. eta vs tors. theta energy: -84.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -931.556454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.556454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.556454 (E_RNA) where: Base-Base interactions energy: -627.870 where: short stacking energy: -259.283 Base-Backbone interact. energy: 0.104 local terms energy: -303.789727 where: bonds (distance) C4'-P energy: -56.233 bonds (distance) P-C4' energy: -58.417 flat angles C4'-P-C4' energy: -66.936 flat angles P-C4'-P energy: -44.095 tors. eta vs tors. theta energy: -78.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -941.235244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.235244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.235244 (E_RNA) where: Base-Base interactions energy: -653.644 where: short stacking energy: -273.601 Base-Backbone interact. energy: -0.662 local terms energy: -286.928922 where: bonds (distance) C4'-P energy: -62.376 bonds (distance) P-C4' energy: -52.240 flat angles C4'-P-C4' energy: -56.920 flat angles P-C4'-P energy: -35.933 tors. eta vs tors. theta energy: -79.461 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: 10 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -655.437618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.437618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.437618 (E_RNA) where: Base-Base interactions energy: -407.790 where: short stacking energy: -192.818 Base-Backbone interact. energy: 0.933 local terms energy: -248.580220 where: bonds (distance) C4'-P energy: -55.503 bonds (distance) P-C4' energy: -57.525 flat angles C4'-P-C4' energy: -48.886 flat angles P-C4'-P energy: -42.213 tors. eta vs tors. theta energy: -44.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -634.195176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.195176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.195176 (E_RNA) where: Base-Base interactions energy: -387.592 where: short stacking energy: -181.458 Base-Backbone interact. energy: -1.536 local terms energy: -245.066388 where: bonds (distance) C4'-P energy: -50.228 bonds (distance) P-C4' energy: -57.411 flat angles C4'-P-C4' energy: -61.192 flat angles P-C4'-P energy: -38.663 tors. eta vs tors. theta energy: -37.573 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: 7 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -538.144113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.144113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.144113 (E_RNA) where: Base-Base interactions energy: -304.368 where: short stacking energy: -167.114 Base-Backbone interact. energy: 0.883 local terms energy: -234.658886 where: bonds (distance) C4'-P energy: -58.892 bonds (distance) P-C4' energy: -52.265 flat angles C4'-P-C4' energy: -59.779 flat angles P-C4'-P energy: -35.616 tors. eta vs tors. theta energy: -28.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -501.034019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.034019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.034019 (E_RNA) where: Base-Base interactions energy: -299.950 where: short stacking energy: -152.909 Base-Backbone interact. energy: 1.647 local terms energy: -202.731319 where: bonds (distance) C4'-P energy: -43.988 bonds (distance) P-C4' energy: -52.802 flat angles C4'-P-C4' energy: -51.524 flat angles P-C4'-P energy: -29.254 tors. eta vs tors. theta energy: -25.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -1189.820537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.820537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.820537 (E_RNA) where: Base-Base interactions energy: -824.153 where: short stacking energy: -366.461 Base-Backbone interact. energy: -0.272 local terms energy: -365.395547 where: bonds (distance) C4'-P energy: -62.634 bonds (distance) P-C4' energy: -62.879 flat angles C4'-P-C4' energy: -73.296 flat angles P-C4'-P energy: -49.193 tors. eta vs tors. theta energy: -117.393 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: 8 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -1094.916473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.916473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.916473 (E_RNA) where: Base-Base interactions energy: -766.807 where: short stacking energy: -309.844 Base-Backbone interact. energy: -1.192 local terms energy: -326.917717 where: bonds (distance) C4'-P energy: -57.735 bonds (distance) P-C4' energy: -65.659 flat angles C4'-P-C4' energy: -72.724 flat angles P-C4'-P energy: -35.467 tors. eta vs tors. theta energy: -95.333 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: 3, replica: 1 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -1004.489571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.489571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.489571 (E_RNA) where: Base-Base interactions energy: -680.818 where: short stacking energy: -304.190 Base-Backbone interact. energy: -1.306 local terms energy: -322.365579 where: bonds (distance) C4'-P energy: -54.114 bonds (distance) P-C4' energy: -65.258 flat angles C4'-P-C4' energy: -66.896 flat angles P-C4'-P energy: -47.469 tors. eta vs tors. theta energy: -88.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -995.476013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.476013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.476013 (E_RNA) where: Base-Base interactions energy: -684.020 where: short stacking energy: -296.778 Base-Backbone interact. energy: -1.622 local terms energy: -309.834475 where: bonds (distance) C4'-P energy: -56.051 bonds (distance) P-C4' energy: -64.638 flat angles C4'-P-C4' energy: -71.786 flat angles P-C4'-P energy: -40.580 tors. eta vs tors. theta energy: -76.780 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: 5 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -971.127362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.127362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.127362 (E_RNA) where: Base-Base interactions energy: -669.494 where: short stacking energy: -293.980 Base-Backbone interact. energy: -1.628 local terms energy: -300.005323 where: bonds (distance) C4'-P energy: -54.171 bonds (distance) P-C4' energy: -58.444 flat angles C4'-P-C4' energy: -70.668 flat angles P-C4'-P energy: -35.836 tors. eta vs tors. theta energy: -80.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -927.876120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.876120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.876120 (E_RNA) where: Base-Base interactions energy: -628.150 where: short stacking energy: -270.476 Base-Backbone interact. energy: -1.165 local terms energy: -298.561334 where: bonds (distance) C4'-P energy: -55.599 bonds (distance) P-C4' energy: -65.050 flat angles C4'-P-C4' energy: -58.430 flat angles P-C4'-P energy: -36.974 tors. eta vs tors. theta energy: -82.508 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: 10 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -688.130834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.130834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.130834 (E_RNA) where: Base-Base interactions energy: -415.655 where: short stacking energy: -183.992 Base-Backbone interact. energy: -0.839 local terms energy: -271.636580 where: bonds (distance) C4'-P energy: -53.866 bonds (distance) P-C4' energy: -67.796 flat angles C4'-P-C4' energy: -68.217 flat angles P-C4'-P energy: -44.312 tors. eta vs tors. theta energy: -37.446 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: 8, replica: 7 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -560.070141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.070141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.070141 (E_RNA) where: Base-Base interactions energy: -320.617 where: short stacking energy: -179.146 Base-Backbone interact. energy: -0.129 local terms energy: -239.324350 where: bonds (distance) C4'-P energy: -50.182 bonds (distance) P-C4' energy: -55.487 flat angles C4'-P-C4' energy: -55.976 flat angles P-C4'-P energy: -32.465 tors. eta vs tors. theta energy: -45.215 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: 9 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -610.401818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.401818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.401818 (E_RNA) where: Base-Base interactions energy: -396.495 where: short stacking energy: -175.523 Base-Backbone interact. energy: -0.186 local terms energy: -213.720846 where: bonds (distance) C4'-P energy: -47.430 bonds (distance) P-C4' energy: -54.502 flat angles C4'-P-C4' energy: -50.229 flat angles P-C4'-P energy: -29.985 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: 10, replica: 6 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -495.344841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.344841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.344841 (E_RNA) where: Base-Base interactions energy: -282.681 where: short stacking energy: -132.448 Base-Backbone interact. energy: 7.831 local terms energy: -220.494748 where: bonds (distance) C4'-P energy: -60.213 bonds (distance) P-C4' energy: -45.796 flat angles C4'-P-C4' energy: -58.463 flat angles P-C4'-P energy: -35.220 tors. eta vs tors. theta energy: -20.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -1175.593751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.593751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.593751 (E_RNA) where: Base-Base interactions energy: -807.546 where: short stacking energy: -351.187 Base-Backbone interact. energy: -0.348 local terms energy: -367.699214 where: bonds (distance) C4'-P energy: -62.332 bonds (distance) P-C4' energy: -68.055 flat angles C4'-P-C4' energy: -69.539 flat angles P-C4'-P energy: -56.267 tors. eta vs tors. theta energy: -111.506 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: 8 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -1101.746429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.746429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.746429 (E_RNA) where: Base-Base interactions energy: -761.623 where: short stacking energy: -309.616 Base-Backbone interact. energy: -1.846 local terms energy: -338.277044 where: bonds (distance) C4'-P energy: -63.180 bonds (distance) P-C4' energy: -65.160 flat angles C4'-P-C4' energy: -69.896 flat angles P-C4'-P energy: -46.726 tors. eta vs tors. theta energy: -93.316 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: 360 Temperature: 1.000000 Total energy: -1020.853591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.853591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.853591 (E_RNA) where: Base-Base interactions energy: -715.412 where: short stacking energy: -302.821 Base-Backbone interact. energy: -0.611 local terms energy: -304.830803 where: bonds (distance) C4'-P energy: -50.552 bonds (distance) P-C4' energy: -60.895 flat angles C4'-P-C4' energy: -66.540 flat angles P-C4'-P energy: -39.277 tors. eta vs tors. theta energy: -87.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -1014.879766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.879766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.879766 (E_RNA) where: Base-Base interactions energy: -683.841 where: short stacking energy: -300.413 Base-Backbone interact. energy: -0.950 local terms energy: -330.087878 where: bonds (distance) C4'-P energy: -47.018 bonds (distance) P-C4' energy: -67.017 flat angles C4'-P-C4' energy: -72.925 flat angles P-C4'-P energy: -45.554 tors. eta vs tors. theta energy: -97.574 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: 3 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -969.728751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.728751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.728751 (E_RNA) where: Base-Base interactions energy: -646.499 where: short stacking energy: -294.832 Base-Backbone interact. energy: -1.219 local terms energy: -322.010724 where: bonds (distance) C4'-P energy: -58.335 bonds (distance) P-C4' energy: -65.604 flat angles C4'-P-C4' energy: -72.523 flat angles P-C4'-P energy: -40.408 tors. eta vs tors. theta energy: -85.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -959.489344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.489344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.489344 (E_RNA) where: Base-Base interactions energy: -667.663 where: short stacking energy: -288.553 Base-Backbone interact. energy: 0.009 local terms energy: -291.835371 where: bonds (distance) C4'-P energy: -50.124 bonds (distance) P-C4' energy: -57.138 flat angles C4'-P-C4' energy: -54.962 flat angles P-C4'-P energy: -50.099 tors. eta vs tors. theta energy: -79.512 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: 7, replica: 10 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -683.231344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.231344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.231344 (E_RNA) where: Base-Base interactions energy: -436.155 where: short stacking energy: -204.168 Base-Backbone interact. energy: -0.339 local terms energy: -246.737950 where: bonds (distance) C4'-P energy: -49.164 bonds (distance) P-C4' energy: -56.519 flat angles C4'-P-C4' energy: -60.662 flat angles P-C4'-P energy: -42.731 tors. eta vs tors. theta energy: -37.662 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: 7 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -554.624429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.624429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.624429 (E_RNA) where: Base-Base interactions energy: -320.755 where: short stacking energy: -173.259 Base-Backbone interact. energy: -0.737 local terms energy: -233.132475 where: bonds (distance) C4'-P energy: -57.699 bonds (distance) P-C4' energy: -61.112 flat angles C4'-P-C4' energy: -40.766 flat angles P-C4'-P energy: -27.203 tors. eta vs tors. theta energy: -46.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -637.293278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.293278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.293278 (E_RNA) where: Base-Base interactions energy: -405.186 where: short stacking energy: -181.641 Base-Backbone interact. energy: 5.228 local terms energy: -237.335505 where: bonds (distance) C4'-P energy: -56.143 bonds (distance) P-C4' energy: -55.234 flat angles C4'-P-C4' energy: -52.420 flat angles P-C4'-P energy: -33.970 tors. eta vs tors. theta energy: -39.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -515.456841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.456841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.456841 (E_RNA) where: Base-Base interactions energy: -298.811 where: short stacking energy: -149.197 Base-Backbone interact. energy: 0.063 local terms energy: -216.708913 where: bonds (distance) C4'-P energy: -55.458 bonds (distance) P-C4' energy: -38.050 flat angles C4'-P-C4' energy: -50.038 flat angles P-C4'-P energy: -39.055 tors. eta vs tors. theta energy: -34.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -1172.715806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.715806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.715806 (E_RNA) where: Base-Base interactions energy: -811.768 where: short stacking energy: -358.875 Base-Backbone interact. energy: -1.182 local terms energy: -359.765498 where: bonds (distance) C4'-P energy: -55.090 bonds (distance) P-C4' energy: -68.725 flat angles C4'-P-C4' energy: -71.821 flat angles P-C4'-P energy: -54.597 tors. eta vs tors. theta energy: -109.532 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: 2, replica: 8 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -1100.857937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.857937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.857937 (E_RNA) where: Base-Base interactions energy: -770.793 where: short stacking energy: -315.270 Base-Backbone interact. energy: 0.409 local terms energy: -330.474442 where: bonds (distance) C4'-P energy: -61.808 bonds (distance) P-C4' energy: -63.028 flat angles C4'-P-C4' energy: -69.241 flat angles P-C4'-P energy: -38.909 tors. eta vs tors. theta energy: -97.488 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: 4 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -1046.639503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.639503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.639503 (E_RNA) where: Base-Base interactions energy: -718.573 where: short stacking energy: -290.809 Base-Backbone interact. energy: 0.318 local terms energy: -328.384958 where: bonds (distance) C4'-P energy: -54.494 bonds (distance) P-C4' energy: -70.820 flat angles C4'-P-C4' energy: -69.123 flat angles P-C4'-P energy: -46.963 tors. eta vs tors. theta energy: -86.985 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: 3 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -1023.926082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.926082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.926082 (E_RNA) where: Base-Base interactions energy: -701.056 where: short stacking energy: -302.449 Base-Backbone interact. energy: -0.216 local terms energy: -322.654361 where: bonds (distance) C4'-P energy: -64.752 bonds (distance) P-C4' energy: -58.961 flat angles C4'-P-C4' energy: -75.429 flat angles P-C4'-P energy: -37.083 tors. eta vs tors. theta energy: -86.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -977.371766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.371766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.371766 (E_RNA) where: Base-Base interactions energy: -653.640 where: short stacking energy: -286.884 Base-Backbone interact. energy: -0.342 local terms energy: -323.390115 where: bonds (distance) C4'-P energy: -60.146 bonds (distance) P-C4' energy: -60.488 flat angles C4'-P-C4' energy: -66.865 flat angles P-C4'-P energy: -50.106 tors. eta vs tors. theta energy: -85.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -950.743395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.743395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.743395 (E_RNA) where: Base-Base interactions energy: -647.126 where: short stacking energy: -271.198 Base-Backbone interact. energy: -0.890 local terms energy: -302.727397 where: bonds (distance) C4'-P energy: -51.541 bonds (distance) P-C4' energy: -57.681 flat angles C4'-P-C4' energy: -68.000 flat angles P-C4'-P energy: -48.551 tors. eta vs tors. theta energy: -76.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -689.619110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.619110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.619110 (E_RNA) where: Base-Base interactions energy: -432.645 where: short stacking energy: -217.584 Base-Backbone interact. energy: 0.047 local terms energy: -257.020978 where: bonds (distance) C4'-P energy: -54.775 bonds (distance) P-C4' energy: -48.377 flat angles C4'-P-C4' energy: -62.799 flat angles P-C4'-P energy: -46.242 tors. eta vs tors. theta energy: -44.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -666.968439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.968439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.968439 (E_RNA) where: Base-Base interactions energy: -406.506 where: short stacking energy: -187.300 Base-Backbone interact. energy: -1.070 local terms energy: -259.392970 where: bonds (distance) C4'-P energy: -62.640 bonds (distance) P-C4' energy: -54.799 flat angles C4'-P-C4' energy: -56.211 flat angles P-C4'-P energy: -42.159 tors. eta vs tors. theta energy: -43.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -530.757611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.757611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.757611 (E_RNA) where: Base-Base interactions energy: -281.988 where: short stacking energy: -137.765 Base-Backbone interact. energy: 0.401 local terms energy: -249.169820 where: bonds (distance) C4'-P energy: -61.827 bonds (distance) P-C4' energy: -63.674 flat angles C4'-P-C4' energy: -59.465 flat angles P-C4'-P energy: -41.573 tors. eta vs tors. theta energy: -22.632 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: 6 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -509.435884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.435884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.435884 (E_RNA) where: Base-Base interactions energy: -311.837 where: short stacking energy: -153.179 Base-Backbone interact. energy: -0.183 local terms energy: -197.416030 where: bonds (distance) C4'-P energy: -49.094 bonds (distance) P-C4' energy: -50.343 flat angles C4'-P-C4' energy: -48.497 flat angles P-C4'-P energy: -31.649 tors. eta vs tors. theta energy: -17.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -1157.224018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.224018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.224018 (E_RNA) where: Base-Base interactions energy: -800.048 where: short stacking energy: -347.901 Base-Backbone interact. energy: -0.421 local terms energy: -356.755647 where: bonds (distance) C4'-P energy: -59.836 bonds (distance) P-C4' energy: -66.917 flat angles C4'-P-C4' energy: -71.044 flat angles P-C4'-P energy: -48.848 tors. eta vs tors. theta energy: -110.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -1131.129597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.129597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.129597 (E_RNA) where: Base-Base interactions energy: -781.217 where: short stacking energy: -335.295 Base-Backbone interact. energy: -0.836 local terms energy: -349.076295 where: bonds (distance) C4'-P energy: -59.766 bonds (distance) P-C4' energy: -70.148 flat angles C4'-P-C4' energy: -70.940 flat angles P-C4'-P energy: -47.923 tors. eta vs tors. theta energy: -100.300 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: 3 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -1048.722807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.722807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.722807 (E_RNA) where: Base-Base interactions energy: -710.566 where: short stacking energy: -301.715 Base-Backbone interact. energy: -0.804 local terms energy: -337.352806 where: bonds (distance) C4'-P energy: -64.894 bonds (distance) P-C4' energy: -69.303 flat angles C4'-P-C4' energy: -67.720 flat angles P-C4'-P energy: -46.619 tors. eta vs tors. theta energy: -88.818 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: 4 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -1018.256625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.256625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.256625 (E_RNA) where: Base-Base interactions energy: -699.793 where: short stacking energy: -302.860 Base-Backbone interact. energy: 0.799 local terms energy: -319.261823 where: bonds (distance) C4'-P energy: -61.908 bonds (distance) P-C4' energy: -54.336 flat angles C4'-P-C4' energy: -65.015 flat angles P-C4'-P energy: -44.747 tors. eta vs tors. theta energy: -93.256 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: 1 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -932.862793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.862793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.862793 (E_RNA) where: Base-Base interactions energy: -649.259 where: short stacking energy: -255.414 Base-Backbone interact. energy: -2.604 local terms energy: -281.000629 where: bonds (distance) C4'-P energy: -53.657 bonds (distance) P-C4' energy: -54.663 flat angles C4'-P-C4' energy: -51.705 flat angles P-C4'-P energy: -43.570 tors. eta vs tors. theta energy: -77.407 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: 5 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -926.914324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.914324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.914324 (E_RNA) where: Base-Base interactions energy: -628.608 where: short stacking energy: -277.531 Base-Backbone interact. energy: 0.196 local terms energy: -298.502057 where: bonds (distance) C4'-P energy: -62.148 bonds (distance) P-C4' energy: -56.874 flat angles C4'-P-C4' energy: -66.293 flat angles P-C4'-P energy: -33.112 tors. eta vs tors. theta energy: -80.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -669.963996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.963996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.963996 (E_RNA) where: Base-Base interactions energy: -413.845 where: short stacking energy: -193.801 Base-Backbone interact. energy: -1.291 local terms energy: -254.828349 where: bonds (distance) C4'-P energy: -61.936 bonds (distance) P-C4' energy: -56.532 flat angles C4'-P-C4' energy: -58.966 flat angles P-C4'-P energy: -31.692 tors. eta vs tors. theta energy: -45.703 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: 10 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -629.799749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.799749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.799749 (E_RNA) where: Base-Base interactions energy: -395.472 where: short stacking energy: -189.852 Base-Backbone interact. energy: 3.217 local terms energy: -237.545131 where: bonds (distance) C4'-P energy: -38.919 bonds (distance) P-C4' energy: -57.708 flat angles C4'-P-C4' energy: -58.443 flat angles P-C4'-P energy: -33.417 tors. eta vs tors. theta energy: -49.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -542.019390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.019390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.019390 (E_RNA) where: Base-Base interactions energy: -320.675 where: short stacking energy: -153.597 Base-Backbone interact. energy: -0.572 local terms energy: -220.771479 where: bonds (distance) C4'-P energy: -49.340 bonds (distance) P-C4' energy: -52.453 flat angles C4'-P-C4' energy: -52.705 flat angles P-C4'-P energy: -40.046 tors. eta vs tors. theta energy: -26.227 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: 6 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -496.387168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.387168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.387168 (E_RNA) where: Base-Base interactions energy: -298.329 where: short stacking energy: -151.357 Base-Backbone interact. energy: -1.460 local terms energy: -196.598990 where: bonds (distance) C4'-P energy: -42.361 bonds (distance) P-C4' energy: -53.218 flat angles C4'-P-C4' energy: -44.821 flat angles P-C4'-P energy: -36.626 tors. eta vs tors. theta energy: -19.573 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: 2 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -1167.883054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.883054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.883054 (E_RNA) where: Base-Base interactions energy: -791.869 where: short stacking energy: -355.891 Base-Backbone interact. energy: -1.614 local terms energy: -374.399469 where: bonds (distance) C4'-P energy: -63.293 bonds (distance) P-C4' energy: -63.823 flat angles C4'-P-C4' energy: -76.783 flat angles P-C4'-P energy: -54.912 tors. eta vs tors. theta energy: -115.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -1109.913582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.913582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.913582 (E_RNA) where: Base-Base interactions energy: -754.356 where: short stacking energy: -316.997 Base-Backbone interact. energy: -1.163 local terms energy: -354.394823 where: bonds (distance) C4'-P energy: -66.451 bonds (distance) P-C4' energy: -67.137 flat angles C4'-P-C4' energy: -74.366 flat angles P-C4'-P energy: -47.543 tors. eta vs tors. theta energy: -98.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -1056.285005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.285005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.285005 (E_RNA) where: Base-Base interactions energy: -721.491 where: short stacking energy: -307.686 Base-Backbone interact. energy: 0.800 local terms energy: -335.593924 where: bonds (distance) C4'-P energy: -67.822 bonds (distance) P-C4' energy: -61.172 flat angles C4'-P-C4' energy: -76.201 flat angles P-C4'-P energy: -51.101 tors. eta vs tors. theta energy: -79.298 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: 363 Temperature: 1.050000 Total energy: -1020.185853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.185853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.185853 (E_RNA) where: Base-Base interactions energy: -705.776 where: short stacking energy: -302.296 Base-Backbone interact. energy: -0.737 local terms energy: -313.672614 where: bonds (distance) C4'-P energy: -55.002 bonds (distance) P-C4' energy: -58.230 flat angles C4'-P-C4' energy: -64.952 flat angles P-C4'-P energy: -49.361 tors. eta vs tors. theta energy: -86.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -980.464798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.464798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.464798 (E_RNA) where: Base-Base interactions energy: -665.329 where: short stacking energy: -283.908 Base-Backbone interact. energy: -0.707 local terms energy: -314.428522 where: bonds (distance) C4'-P energy: -59.785 bonds (distance) P-C4' energy: -57.629 flat angles C4'-P-C4' energy: -66.466 flat angles P-C4'-P energy: -46.976 tors. eta vs tors. theta energy: -83.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -924.516650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.516650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.516650 (E_RNA) where: Base-Base interactions energy: -623.187 where: short stacking energy: -263.535 Base-Backbone interact. energy: -0.235 local terms energy: -301.094780 where: bonds (distance) C4'-P energy: -48.362 bonds (distance) P-C4' energy: -61.534 flat angles C4'-P-C4' energy: -69.659 flat angles P-C4'-P energy: -39.808 tors. eta vs tors. theta energy: -81.733 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: 7, replica: 9 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -680.667512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.667512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.667512 (E_RNA) where: Base-Base interactions energy: -426.824 where: short stacking energy: -214.208 Base-Backbone interact. energy: -3.053 local terms energy: -250.790749 where: bonds (distance) C4'-P energy: -58.353 bonds (distance) P-C4' energy: -48.298 flat angles C4'-P-C4' energy: -61.368 flat angles P-C4'-P energy: -33.622 tors. eta vs tors. theta energy: -49.150 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: 10 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -673.904315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.904315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.904315 (E_RNA) where: Base-Base interactions energy: -427.923 where: short stacking energy: -199.683 Base-Backbone interact. energy: -0.988 local terms energy: -244.992897 where: bonds (distance) C4'-P energy: -49.719 bonds (distance) P-C4' energy: -57.117 flat angles C4'-P-C4' energy: -50.616 flat angles P-C4'-P energy: -39.808 tors. eta vs tors. theta energy: -47.731 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: 7 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -566.656095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.656095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.656095 (E_RNA) where: Base-Base interactions energy: -341.058 where: short stacking energy: -161.919 Base-Backbone interact. energy: -1.921 local terms energy: -223.677304 where: bonds (distance) C4'-P energy: -52.795 bonds (distance) P-C4' energy: -42.995 flat angles C4'-P-C4' energy: -53.725 flat angles P-C4'-P energy: -41.580 tors. eta vs tors. theta energy: -32.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -537.167379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.167379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.167379 (E_RNA) where: Base-Base interactions energy: -319.328 where: short stacking energy: -159.728 Base-Backbone interact. energy: -0.832 local terms energy: -217.007137 where: bonds (distance) C4'-P energy: -47.178 bonds (distance) P-C4' energy: -51.344 flat angles C4'-P-C4' energy: -52.801 flat angles P-C4'-P energy: -34.242 tors. eta vs tors. theta energy: -31.443 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: 2 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -1184.307913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.307913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.307913 (E_RNA) where: Base-Base interactions energy: -811.812 where: short stacking energy: -351.160 Base-Backbone interact. energy: -0.021 local terms energy: -372.475166 where: bonds (distance) C4'-P energy: -63.689 bonds (distance) P-C4' energy: -65.859 flat angles C4'-P-C4' energy: -74.931 flat angles P-C4'-P energy: -54.916 tors. eta vs tors. theta energy: -113.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -1101.497918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.497918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.497918 (E_RNA) where: Base-Base interactions energy: -763.549 where: short stacking energy: -322.841 Base-Backbone interact. energy: -2.197 local terms energy: -335.752555 where: bonds (distance) C4'-P energy: -60.666 bonds (distance) P-C4' energy: -59.048 flat angles C4'-P-C4' energy: -68.331 flat angles P-C4'-P energy: -48.561 tors. eta vs tors. theta energy: -99.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -1073.984410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.984410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.984410 (E_RNA) where: Base-Base interactions energy: -737.485 where: short stacking energy: -305.996 Base-Backbone interact. energy: -1.042 local terms energy: -335.456457 where: bonds (distance) C4'-P energy: -55.681 bonds (distance) P-C4' energy: -63.386 flat angles C4'-P-C4' energy: -74.106 flat angles P-C4'-P energy: -51.708 tors. eta vs tors. theta energy: -90.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -1007.093324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.093324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.093324 (E_RNA) where: Base-Base interactions energy: -708.469 where: short stacking energy: -306.526 Base-Backbone interact. energy: -0.623 local terms energy: -298.002206 where: bonds (distance) C4'-P energy: -52.459 bonds (distance) P-C4' energy: -58.724 flat angles C4'-P-C4' energy: -58.138 flat angles P-C4'-P energy: -42.736 tors. eta vs tors. theta energy: -85.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -989.804568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.804568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.804568 (E_RNA) where: Base-Base interactions energy: -651.392 where: short stacking energy: -278.335 Base-Backbone interact. energy: -1.271 local terms energy: -337.142264 where: bonds (distance) C4'-P energy: -65.724 bonds (distance) P-C4' energy: -53.052 flat angles C4'-P-C4' energy: -72.491 flat angles P-C4'-P energy: -53.790 tors. eta vs tors. theta energy: -92.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -877.507931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.507931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.507931 (E_RNA) where: Base-Base interactions energy: -585.614 where: short stacking energy: -249.628 Base-Backbone interact. energy: -2.729 local terms energy: -289.164705 where: bonds (distance) C4'-P energy: -60.141 bonds (distance) P-C4' energy: -65.721 flat angles C4'-P-C4' energy: -63.072 flat angles P-C4'-P energy: -33.151 tors. eta vs tors. theta energy: -67.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -693.811694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.811694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.811694 (E_RNA) where: Base-Base interactions energy: -427.300 where: short stacking energy: -204.034 Base-Backbone interact. energy: -0.315 local terms energy: -266.196518 where: bonds (distance) C4'-P energy: -56.004 bonds (distance) P-C4' energy: -59.288 flat angles C4'-P-C4' energy: -54.468 flat angles P-C4'-P energy: -44.703 tors. eta vs tors. theta energy: -51.734 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: 9 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -637.603475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.603475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.603475 (E_RNA) where: Base-Base interactions energy: -389.467 where: short stacking energy: -181.483 Base-Backbone interact. energy: -1.422 local terms energy: -246.714873 where: bonds (distance) C4'-P energy: -48.755 bonds (distance) P-C4' energy: -60.613 flat angles C4'-P-C4' energy: -63.568 flat angles P-C4'-P energy: -36.463 tors. eta vs tors. theta energy: -37.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -530.988222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.988222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.988222 (E_RNA) where: Base-Base interactions energy: -311.669 where: short stacking energy: -149.733 Base-Backbone interact. energy: -0.941 local terms energy: -218.378348 where: bonds (distance) C4'-P energy: -57.120 bonds (distance) P-C4' energy: -55.444 flat angles C4'-P-C4' energy: -56.597 flat angles P-C4'-P energy: -15.337 tors. eta vs tors. theta energy: -33.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -513.213274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.213274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.213274 (E_RNA) where: Base-Base interactions energy: -310.308 where: short stacking energy: -152.554 Base-Backbone interact. energy: -0.278 local terms energy: -202.627213 where: bonds (distance) C4'-P energy: -34.539 bonds (distance) P-C4' energy: -52.522 flat angles C4'-P-C4' energy: -49.986 flat angles P-C4'-P energy: -34.729 tors. eta vs tors. theta energy: -30.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -1174.437834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.437834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.437834 (E_RNA) where: Base-Base interactions energy: -802.054 where: short stacking energy: -351.433 Base-Backbone interact. energy: -0.862 local terms energy: -371.521823 where: bonds (distance) C4'-P energy: -60.754 bonds (distance) P-C4' energy: -74.597 flat angles C4'-P-C4' energy: -65.523 flat angles P-C4'-P energy: -56.021 tors. eta vs tors. theta energy: -114.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -1102.570594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.570594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.570594 (E_RNA) where: Base-Base interactions energy: -762.791 where: short stacking energy: -322.867 Base-Backbone interact. energy: 0.994 local terms energy: -340.773004 where: bonds (distance) C4'-P energy: -62.554 bonds (distance) P-C4' energy: -60.318 flat angles C4'-P-C4' energy: -69.205 flat angles P-C4'-P energy: -46.972 tors. eta vs tors. theta energy: -101.725 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: 3, replica: 3 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -1053.780153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.780153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.780153 (E_RNA) where: Base-Base interactions energy: -730.490 where: short stacking energy: -306.623 Base-Backbone interact. energy: -1.320 local terms energy: -321.970143 where: bonds (distance) C4'-P energy: -56.464 bonds (distance) P-C4' energy: -64.073 flat angles C4'-P-C4' energy: -69.031 flat angles P-C4'-P energy: -41.644 tors. eta vs tors. theta energy: -90.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -966.059109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.059109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.059109 (E_RNA) where: Base-Base interactions energy: -658.182 where: short stacking energy: -275.330 Base-Backbone interact. energy: -0.014 local terms energy: -307.863420 where: bonds (distance) C4'-P energy: -63.502 bonds (distance) P-C4' energy: -54.371 flat angles C4'-P-C4' energy: -71.570 flat angles P-C4'-P energy: -38.774 tors. eta vs tors. theta energy: -79.647 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: 1 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -1002.903613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.903613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.903613 (E_RNA) where: Base-Base interactions energy: -683.971 where: short stacking energy: -308.878 Base-Backbone interact. energy: -1.158 local terms energy: -317.774106 where: bonds (distance) C4'-P energy: -55.341 bonds (distance) P-C4' energy: -66.470 flat angles C4'-P-C4' energy: -69.940 flat angles P-C4'-P energy: -33.636 tors. eta vs tors. theta energy: -92.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -883.089340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.089340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.089340 (E_RNA) where: Base-Base interactions energy: -581.172 where: short stacking energy: -256.052 Base-Backbone interact. energy: 2.214 local terms energy: -304.131410 where: bonds (distance) C4'-P energy: -53.031 bonds (distance) P-C4' energy: -59.819 flat angles C4'-P-C4' energy: -67.384 flat angles P-C4'-P energy: -48.827 tors. eta vs tors. theta energy: -75.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -687.970728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.970728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.970728 (E_RNA) where: Base-Base interactions energy: -415.731 where: short stacking energy: -198.428 Base-Backbone interact. energy: -2.140 local terms energy: -270.099579 where: bonds (distance) C4'-P energy: -67.440 bonds (distance) P-C4' energy: -45.907 flat angles C4'-P-C4' energy: -57.783 flat angles P-C4'-P energy: -49.215 tors. eta vs tors. theta energy: -49.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -696.852964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.852964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.852964 (E_RNA) where: Base-Base interactions energy: -437.811 where: short stacking energy: -191.896 Base-Backbone interact. energy: -0.463 local terms energy: -258.578909 where: bonds (distance) C4'-P energy: -55.120 bonds (distance) P-C4' energy: -59.630 flat angles C4'-P-C4' energy: -64.650 flat angles P-C4'-P energy: -34.140 tors. eta vs tors. theta energy: -45.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -549.615107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.615107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.615107 (E_RNA) where: Base-Base interactions energy: -336.496 where: short stacking energy: -157.925 Base-Backbone interact. energy: -2.431 local terms energy: -210.687816 where: bonds (distance) C4'-P energy: -53.094 bonds (distance) P-C4' energy: -54.626 flat angles C4'-P-C4' energy: -49.964 flat angles P-C4'-P energy: -31.399 tors. eta vs tors. theta energy: -21.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -480.235107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.235107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.235107 (E_RNA) where: Base-Base interactions energy: -274.999 where: short stacking energy: -117.351 Base-Backbone interact. energy: -0.593 local terms energy: -204.642881 where: bonds (distance) C4'-P energy: -36.967 bonds (distance) P-C4' energy: -63.947 flat angles C4'-P-C4' energy: -54.601 flat angles P-C4'-P energy: -25.199 tors. eta vs tors. theta energy: -23.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -1176.345952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.345952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.345952 (E_RNA) where: Base-Base interactions energy: -811.860 where: short stacking energy: -357.936 Base-Backbone interact. energy: -0.767 local terms energy: -363.719256 where: bonds (distance) C4'-P energy: -68.021 bonds (distance) P-C4' energy: -67.076 flat angles C4'-P-C4' energy: -72.789 flat angles P-C4'-P energy: -47.789 tors. eta vs tors. theta energy: -108.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -1134.275361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.275361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.275361 (E_RNA) where: Base-Base interactions energy: -776.023 where: short stacking energy: -325.458 Base-Backbone interact. energy: -2.187 local terms energy: -356.065277 where: bonds (distance) C4'-P energy: -66.895 bonds (distance) P-C4' energy: -69.623 flat angles C4'-P-C4' energy: -69.386 flat angles P-C4'-P energy: -51.190 tors. eta vs tors. theta energy: -98.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -1057.202988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.202988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.202988 (E_RNA) where: Base-Base interactions energy: -722.747 where: short stacking energy: -308.887 Base-Backbone interact. energy: -1.217 local terms energy: -333.238280 where: bonds (distance) C4'-P energy: -63.527 bonds (distance) P-C4' energy: -64.037 flat angles C4'-P-C4' energy: -61.288 flat angles P-C4'-P energy: -45.645 tors. eta vs tors. theta energy: -98.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -990.307263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.307263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.307263 (E_RNA) where: Base-Base interactions energy: -655.957 where: short stacking energy: -273.494 Base-Backbone interact. energy: 0.411 local terms energy: -334.761904 where: bonds (distance) C4'-P energy: -62.579 bonds (distance) P-C4' energy: -68.558 flat angles C4'-P-C4' energy: -76.049 flat angles P-C4'-P energy: -43.697 tors. eta vs tors. theta energy: -83.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -992.096325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.096325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.096325 (E_RNA) where: Base-Base interactions energy: -675.474 where: short stacking energy: -304.192 Base-Backbone interact. energy: -1.662 local terms energy: -314.959508 where: bonds (distance) C4'-P energy: -56.627 bonds (distance) P-C4' energy: -57.042 flat angles C4'-P-C4' energy: -63.533 flat angles P-C4'-P energy: -40.869 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: 6, replica: 5 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -877.253948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.253948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.253948 (E_RNA) where: Base-Base interactions energy: -591.038 where: short stacking energy: -239.589 Base-Backbone interact. energy: -0.765 local terms energy: -285.451231 where: bonds (distance) C4'-P energy: -42.637 bonds (distance) P-C4' energy: -62.438 flat angles C4'-P-C4' energy: -73.352 flat angles P-C4'-P energy: -41.532 tors. eta vs tors. theta energy: -65.491 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: 10 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -695.691728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.691728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.691728 (E_RNA) where: Base-Base interactions energy: -450.991 where: short stacking energy: -206.702 Base-Backbone interact. energy: 0.832 local terms energy: -245.532863 where: bonds (distance) C4'-P energy: -31.312 bonds (distance) P-C4' energy: -60.176 flat angles C4'-P-C4' energy: -58.139 flat angles P-C4'-P energy: -32.634 tors. eta vs tors. theta energy: -63.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -710.356449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.356449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.356449 (E_RNA) where: Base-Base interactions energy: -448.199 where: short stacking energy: -200.049 Base-Backbone interact. energy: 2.433 local terms energy: -264.590475 where: bonds (distance) C4'-P energy: -41.269 bonds (distance) P-C4' energy: -66.298 flat angles C4'-P-C4' energy: -55.741 flat angles P-C4'-P energy: -45.969 tors. eta vs tors. theta energy: -55.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -538.024596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.024596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.024596 (E_RNA) where: Base-Base interactions energy: -310.090 where: short stacking energy: -172.645 Base-Backbone interact. energy: 1.202 local terms energy: -229.136826 where: bonds (distance) C4'-P energy: -56.602 bonds (distance) P-C4' energy: -66.980 flat angles C4'-P-C4' energy: -52.096 flat angles P-C4'-P energy: -26.285 tors. eta vs tors. theta energy: -27.174 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: 6 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -483.015237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.015237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.015237 (E_RNA) where: Base-Base interactions energy: -274.471 where: short stacking energy: -151.477 Base-Backbone interact. energy: 5.655 local terms energy: -214.198996 where: bonds (distance) C4'-P energy: -54.256 bonds (distance) P-C4' energy: -50.852 flat angles C4'-P-C4' energy: -51.056 flat angles P-C4'-P energy: -33.594 tors. eta vs tors. theta energy: -24.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -1173.769209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.769209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.769209 (E_RNA) where: Base-Base interactions energy: -816.844 where: short stacking energy: -343.662 Base-Backbone interact. energy: -1.284 local terms energy: -355.641583 where: bonds (distance) C4'-P energy: -59.395 bonds (distance) P-C4' energy: -66.569 flat angles C4'-P-C4' energy: -76.678 flat angles P-C4'-P energy: -42.779 tors. eta vs tors. theta energy: -110.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -1103.176608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.176608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.176608 (E_RNA) where: Base-Base interactions energy: -754.125 where: short stacking energy: -320.830 Base-Backbone interact. energy: -2.269 local terms energy: -346.782049 where: bonds (distance) C4'-P energy: -63.328 bonds (distance) P-C4' energy: -64.724 flat angles C4'-P-C4' energy: -67.669 flat angles P-C4'-P energy: -57.644 tors. eta vs tors. theta energy: -93.417 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: 3, replica: 3 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -1036.989251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.989251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.989251 (E_RNA) where: Base-Base interactions energy: -708.859 where: short stacking energy: -295.788 Base-Backbone interact. energy: -0.883 local terms energy: -327.246880 where: bonds (distance) C4'-P energy: -58.059 bonds (distance) P-C4' energy: -67.850 flat angles C4'-P-C4' energy: -60.709 flat angles P-C4'-P energy: -47.496 tors. eta vs tors. theta energy: -93.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -998.119137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.119137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.119137 (E_RNA) where: Base-Base interactions energy: -676.884 where: short stacking energy: -297.297 Base-Backbone interact. energy: -0.994 local terms energy: -320.241177 where: bonds (distance) C4'-P energy: -61.497 bonds (distance) P-C4' energy: -62.475 flat angles C4'-P-C4' energy: -60.560 flat angles P-C4'-P energy: -45.740 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: 5, replica: 4 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -984.041136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.041136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.041136 (E_RNA) where: Base-Base interactions energy: -664.277 where: short stacking energy: -291.296 Base-Backbone interact. energy: -1.781 local terms energy: -317.983917 where: bonds (distance) C4'-P energy: -52.624 bonds (distance) P-C4' energy: -64.118 flat angles C4'-P-C4' energy: -73.041 flat angles P-C4'-P energy: -41.625 tors. eta vs tors. theta energy: -86.576 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: 5 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -876.298140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.298140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.298140 (E_RNA) where: Base-Base interactions energy: -574.291 where: short stacking energy: -252.454 Base-Backbone interact. energy: -0.347 local terms energy: -301.659673 where: bonds (distance) C4'-P energy: -49.357 bonds (distance) P-C4' energy: -62.975 flat angles C4'-P-C4' energy: -63.831 flat angles P-C4'-P energy: -48.055 tors. eta vs tors. theta energy: -77.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -751.653500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.653500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.653500 (E_RNA) where: Base-Base interactions energy: -488.452 where: short stacking energy: -222.028 Base-Backbone interact. energy: -1.058 local terms energy: -262.143054 where: bonds (distance) C4'-P energy: -42.710 bonds (distance) P-C4' energy: -60.026 flat angles C4'-P-C4' energy: -68.507 flat angles P-C4'-P energy: -41.092 tors. eta vs tors. theta energy: -49.808 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: 9 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -645.970506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.970506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.970506 (E_RNA) where: Base-Base interactions energy: -419.157 where: short stacking energy: -196.964 Base-Backbone interact. energy: 0.359 local terms energy: -227.172442 where: bonds (distance) C4'-P energy: -58.118 bonds (distance) P-C4' energy: -46.081 flat angles C4'-P-C4' energy: -48.845 flat angles P-C4'-P energy: -34.939 tors. eta vs tors. theta energy: -39.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -517.875759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.875759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.875759 (E_RNA) where: Base-Base interactions energy: -303.494 where: short stacking energy: -150.631 Base-Backbone interact. energy: -0.106 local terms energy: -214.275132 where: bonds (distance) C4'-P energy: -46.574 bonds (distance) P-C4' energy: -63.436 flat angles C4'-P-C4' energy: -49.546 flat angles P-C4'-P energy: -33.947 tors. eta vs tors. theta energy: -20.772 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: 6 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -529.229837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.229837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.229837 (E_RNA) where: Base-Base interactions energy: -310.630 where: short stacking energy: -158.995 Base-Backbone interact. energy: -0.320 local terms energy: -218.280621 where: bonds (distance) C4'-P energy: -52.068 bonds (distance) P-C4' energy: -59.143 flat angles C4'-P-C4' energy: -47.091 flat angles P-C4'-P energy: -27.121 tors. eta vs tors. theta energy: -32.857 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: 1, replica: 2 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -1181.806933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.806933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.806933 (E_RNA) where: Base-Base interactions energy: -816.962 where: short stacking energy: -358.271 Base-Backbone interact. energy: -0.953 local terms energy: -363.892191 where: bonds (distance) C4'-P energy: -59.651 bonds (distance) P-C4' energy: -69.361 flat angles C4'-P-C4' energy: -72.004 flat angles P-C4'-P energy: -54.108 tors. eta vs tors. theta energy: -108.768 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: 8 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -1111.249131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.249131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.249131 (E_RNA) where: Base-Base interactions energy: -773.860 where: short stacking energy: -335.002 Base-Backbone interact. energy: -0.703 local terms energy: -336.685822 where: bonds (distance) C4'-P energy: -61.235 bonds (distance) P-C4' energy: -58.919 flat angles C4'-P-C4' energy: -69.296 flat angles P-C4'-P energy: -49.321 tors. eta vs tors. theta energy: -97.915 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: 1 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -1027.869703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.869703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.869703 (E_RNA) where: Base-Base interactions energy: -696.199 where: short stacking energy: -306.838 Base-Backbone interact. energy: 2.038 local terms energy: -333.708410 where: bonds (distance) C4'-P energy: -60.859 bonds (distance) P-C4' energy: -60.575 flat angles C4'-P-C4' energy: -73.091 flat angles P-C4'-P energy: -48.428 tors. eta vs tors. theta energy: -90.755 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: 3 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -1013.206865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.206865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.206865 (E_RNA) where: Base-Base interactions energy: -700.934 where: short stacking energy: -303.211 Base-Backbone interact. energy: -1.767 local terms energy: -310.505793 where: bonds (distance) C4'-P energy: -66.162 bonds (distance) P-C4' energy: -45.216 flat angles C4'-P-C4' energy: -65.843 flat angles P-C4'-P energy: -41.685 tors. eta vs tors. theta energy: -91.599 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: 5, replica: 4 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -950.435273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.435273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.435273 (E_RNA) where: Base-Base interactions energy: -650.257 where: short stacking energy: -282.250 Base-Backbone interact. energy: -1.121 local terms energy: -299.057624 where: bonds (distance) C4'-P energy: -54.875 bonds (distance) P-C4' energy: -58.868 flat angles C4'-P-C4' energy: -65.348 flat angles P-C4'-P energy: -39.182 tors. eta vs tors. theta energy: -80.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -932.957471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.957471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.957471 (E_RNA) where: Base-Base interactions energy: -651.995 where: short stacking energy: -276.583 Base-Backbone interact. energy: -1.012 local terms energy: -279.950268 where: bonds (distance) C4'-P energy: -55.502 bonds (distance) P-C4' energy: -54.086 flat angles C4'-P-C4' energy: -51.296 flat angles P-C4'-P energy: -41.345 tors. eta vs tors. theta energy: -77.722 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: 368 Temperature: 1.200000 Total energy: -751.986747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.986747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.986747 (E_RNA) where: Base-Base interactions energy: -482.344 where: short stacking energy: -222.170 Base-Backbone interact. energy: -0.378 local terms energy: -269.264929 where: bonds (distance) C4'-P energy: -55.121 bonds (distance) P-C4' energy: -55.013 flat angles C4'-P-C4' energy: -61.179 flat angles P-C4'-P energy: -42.609 tors. eta vs tors. theta energy: -55.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -633.730895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.730895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.730895 (E_RNA) where: Base-Base interactions energy: -383.916 where: short stacking energy: -164.849 Base-Backbone interact. energy: 2.920 local terms energy: -252.734654 where: bonds (distance) C4'-P energy: -56.882 bonds (distance) P-C4' energy: -55.403 flat angles C4'-P-C4' energy: -62.555 flat angles P-C4'-P energy: -38.331 tors. eta vs tors. theta energy: -39.564 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: 7 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -522.932134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.932134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.932134 (E_RNA) where: Base-Base interactions energy: -301.218 where: short stacking energy: -145.401 Base-Backbone interact. energy: 0.006 local terms energy: -221.719904 where: bonds (distance) C4'-P energy: -49.203 bonds (distance) P-C4' energy: -58.040 flat angles C4'-P-C4' energy: -46.702 flat angles P-C4'-P energy: -46.228 tors. eta vs tors. theta energy: -21.547 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: 10, replica: 6 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -519.495807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.495807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.495807 (E_RNA) where: Base-Base interactions energy: -312.127 where: short stacking energy: -162.927 Base-Backbone interact. energy: -0.504 local terms energy: -206.865082 where: bonds (distance) C4'-P energy: -44.720 bonds (distance) P-C4' energy: -42.750 flat angles C4'-P-C4' energy: -68.653 flat angles P-C4'-P energy: -25.071 tors. eta vs tors. theta energy: -25.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -1172.414154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.414154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.414154 (E_RNA) where: Base-Base interactions energy: -820.530 where: short stacking energy: -361.485 Base-Backbone interact. energy: -0.017 local terms energy: -351.866534 where: bonds (distance) C4'-P energy: -55.228 bonds (distance) P-C4' energy: -61.944 flat angles C4'-P-C4' energy: -72.653 flat angles P-C4'-P energy: -49.401 tors. eta vs tors. theta energy: -112.641 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: 8 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -1112.552320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.552320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.552320 (E_RNA) where: Base-Base interactions energy: -770.430 where: short stacking energy: -332.373 Base-Backbone interact. energy: 2.370 local terms energy: -344.492262 where: bonds (distance) C4'-P energy: -63.298 bonds (distance) P-C4' energy: -57.034 flat angles C4'-P-C4' energy: -69.611 flat angles P-C4'-P energy: -55.990 tors. eta vs tors. theta energy: -98.558 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: 1 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -1012.939758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.939758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.939758 (E_RNA) where: Base-Base interactions energy: -698.004 where: short stacking energy: -308.003 Base-Backbone interact. energy: -0.948 local terms energy: -313.988036 where: bonds (distance) C4'-P energy: -52.366 bonds (distance) P-C4' energy: -55.008 flat angles C4'-P-C4' energy: -73.756 flat angles P-C4'-P energy: -48.742 tors. eta vs tors. theta energy: -84.115 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: 3 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -1006.272953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.272953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.272953 (E_RNA) where: Base-Base interactions energy: -686.890 where: short stacking energy: -293.268 Base-Backbone interact. energy: -1.646 local terms energy: -317.737293 where: bonds (distance) C4'-P energy: -56.194 bonds (distance) P-C4' energy: -65.432 flat angles C4'-P-C4' energy: -73.390 flat angles P-C4'-P energy: -41.379 tors. eta vs tors. theta energy: -81.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -930.037208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.037208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.037208 (E_RNA) where: Base-Base interactions energy: -641.354 where: short stacking energy: -262.223 Base-Backbone interact. energy: 0.647 local terms energy: -289.330327 where: bonds (distance) C4'-P energy: -53.899 bonds (distance) P-C4' energy: -60.632 flat angles C4'-P-C4' energy: -62.277 flat angles P-C4'-P energy: -42.107 tors. eta vs tors. theta energy: -70.416 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: 6, replica: 5 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -876.815796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.815796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.815796 (E_RNA) where: Base-Base interactions energy: -599.383 where: short stacking energy: -257.061 Base-Backbone interact. energy: -1.821 local terms energy: -275.611357 where: bonds (distance) C4'-P energy: -62.187 bonds (distance) P-C4' energy: -51.600 flat angles C4'-P-C4' energy: -56.214 flat angles P-C4'-P energy: -36.487 tors. eta vs tors. theta energy: -69.123 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: 10 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -770.359581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.359581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.359581 (E_RNA) where: Base-Base interactions energy: -505.814 where: short stacking energy: -243.704 Base-Backbone interact. energy: -1.235 local terms energy: -263.310525 where: bonds (distance) C4'-P energy: -48.461 bonds (distance) P-C4' energy: -54.523 flat angles C4'-P-C4' energy: -61.017 flat angles P-C4'-P energy: -38.216 tors. eta vs tors. theta energy: -61.092 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: 9 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -659.543920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.543920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.543920 (E_RNA) where: Base-Base interactions energy: -438.073 where: short stacking energy: -186.201 Base-Backbone interact. energy: 2.355 local terms energy: -223.825896 where: bonds (distance) C4'-P energy: -46.031 bonds (distance) P-C4' energy: -54.282 flat angles C4'-P-C4' energy: -50.735 flat angles P-C4'-P energy: -33.168 tors. eta vs tors. theta energy: -39.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -536.057866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.057866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.057866 (E_RNA) where: Base-Base interactions energy: -307.348 where: short stacking energy: -164.253 Base-Backbone interact. energy: -0.314 local terms energy: -228.396037 where: bonds (distance) C4'-P energy: -48.567 bonds (distance) P-C4' energy: -53.634 flat angles C4'-P-C4' energy: -59.111 flat angles P-C4'-P energy: -31.086 tors. eta vs tors. theta energy: -35.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -507.715919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.715919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.715919 (E_RNA) where: Base-Base interactions energy: -311.684 where: short stacking energy: -153.077 Base-Backbone interact. energy: 2.165 local terms energy: -198.197535 where: bonds (distance) C4'-P energy: -41.976 bonds (distance) P-C4' energy: -54.466 flat angles C4'-P-C4' energy: -43.672 flat angles P-C4'-P energy: -36.232 tors. eta vs tors. theta energy: -21.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -1169.055208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.055208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.055208 (E_RNA) where: Base-Base interactions energy: -800.339 where: short stacking energy: -346.612 Base-Backbone interact. energy: -0.291 local terms energy: -368.424298 where: bonds (distance) C4'-P energy: -65.512 bonds (distance) P-C4' energy: -70.831 flat angles C4'-P-C4' energy: -71.990 flat angles P-C4'-P energy: -48.410 tors. eta vs tors. theta energy: -111.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -1107.311581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.311581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.311581 (E_RNA) where: Base-Base interactions energy: -759.306 where: short stacking energy: -333.094 Base-Backbone interact. energy: 2.552 local terms energy: -350.557617 where: bonds (distance) C4'-P energy: -65.634 bonds (distance) P-C4' energy: -63.901 flat angles C4'-P-C4' energy: -67.923 flat angles P-C4'-P energy: -48.437 tors. eta vs tors. theta energy: -104.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -1032.067960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.067960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.067960 (E_RNA) where: Base-Base interactions energy: -708.379 where: short stacking energy: -310.782 Base-Backbone interact. energy: -2.143 local terms energy: -321.546528 where: bonds (distance) C4'-P energy: -59.262 bonds (distance) P-C4' energy: -61.754 flat angles C4'-P-C4' energy: -65.576 flat angles P-C4'-P energy: -42.098 tors. eta vs tors. theta energy: -92.857 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: 1 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -1008.962673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.962673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.962673 (E_RNA) where: Base-Base interactions energy: -684.379 where: short stacking energy: -304.379 Base-Backbone interact. energy: 4.608 local terms energy: -329.191684 where: bonds (distance) C4'-P energy: -63.423 bonds (distance) P-C4' energy: -58.966 flat angles C4'-P-C4' energy: -69.214 flat angles P-C4'-P energy: -47.651 tors. eta vs tors. theta energy: -89.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -934.458327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.458327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.458327 (E_RNA) where: Base-Base interactions energy: -633.285 where: short stacking energy: -272.781 Base-Backbone interact. energy: -1.069 local terms energy: -300.104560 where: bonds (distance) C4'-P energy: -47.395 bonds (distance) P-C4' energy: -62.978 flat angles C4'-P-C4' energy: -65.226 flat angles P-C4'-P energy: -44.994 tors. eta vs tors. theta energy: -79.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -882.710135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.710135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.710135 (E_RNA) where: Base-Base interactions energy: -613.980 where: short stacking energy: -269.351 Base-Backbone interact. energy: -1.181 local terms energy: -267.548957 where: bonds (distance) C4'-P energy: -49.728 bonds (distance) P-C4' energy: -49.144 flat angles C4'-P-C4' energy: -57.997 flat angles P-C4'-P energy: -36.633 tors. eta vs tors. theta energy: -74.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -767.235136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.235136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.235136 (E_RNA) where: Base-Base interactions energy: -498.799 where: short stacking energy: -222.219 Base-Backbone interact. energy: -0.953 local terms energy: -267.483537 where: bonds (distance) C4'-P energy: -63.565 bonds (distance) P-C4' energy: -50.230 flat angles C4'-P-C4' energy: -56.830 flat angles P-C4'-P energy: -45.329 tors. eta vs tors. theta energy: -51.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -644.171104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.171104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.171104 (E_RNA) where: Base-Base interactions energy: -396.277 where: short stacking energy: -199.240 Base-Backbone interact. energy: 0.255 local terms energy: -248.148743 where: bonds (distance) C4'-P energy: -49.844 bonds (distance) P-C4' energy: -67.866 flat angles C4'-P-C4' energy: -46.684 flat angles P-C4'-P energy: -37.539 tors. eta vs tors. theta energy: -46.215 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: 6 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -533.586216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.586216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.586216 (E_RNA) where: Base-Base interactions energy: -302.448 where: short stacking energy: -134.011 Base-Backbone interact. energy: -1.492 local terms energy: -229.646263 where: bonds (distance) C4'-P energy: -57.012 bonds (distance) P-C4' energy: -59.141 flat angles C4'-P-C4' energy: -49.672 flat angles P-C4'-P energy: -32.470 tors. eta vs tors. theta energy: -31.352 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: 7 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -494.855530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.855530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.855530 (E_RNA) where: Base-Base interactions energy: -283.546 where: short stacking energy: -127.647 Base-Backbone interact. energy: -0.537 local terms energy: -210.772762 where: bonds (distance) C4'-P energy: -58.854 bonds (distance) P-C4' energy: -50.304 flat angles C4'-P-C4' energy: -46.706 flat angles P-C4'-P energy: -38.022 tors. eta vs tors. theta energy: -16.887 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: 1, replica: 2 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -1195.208089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.208089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.208089 (E_RNA) where: Base-Base interactions energy: -833.051 where: short stacking energy: -363.029 Base-Backbone interact. energy: -0.504 local terms energy: -361.652405 where: bonds (distance) C4'-P energy: -65.464 bonds (distance) P-C4' energy: -59.090 flat angles C4'-P-C4' energy: -72.618 flat angles P-C4'-P energy: -50.903 tors. eta vs tors. theta energy: -113.578 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: 8 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -1110.700968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.700968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.700968 (E_RNA) where: Base-Base interactions energy: -768.549 where: short stacking energy: -321.651 Base-Backbone interact. energy: -1.185 local terms energy: -340.966509 where: bonds (distance) C4'-P energy: -60.582 bonds (distance) P-C4' energy: -58.539 flat angles C4'-P-C4' energy: -71.260 flat angles P-C4'-P energy: -53.727 tors. eta vs tors. theta energy: -96.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -1035.927412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.927412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.927412 (E_RNA) where: Base-Base interactions energy: -711.133 where: short stacking energy: -313.285 Base-Backbone interact. energy: -0.086 local terms energy: -324.708705 where: bonds (distance) C4'-P energy: -60.160 bonds (distance) P-C4' energy: -64.371 flat angles C4'-P-C4' energy: -68.658 flat angles P-C4'-P energy: -45.563 tors. eta vs tors. theta energy: -85.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -1019.587075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.587075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.587075 (E_RNA) where: Base-Base interactions energy: -664.497 where: short stacking energy: -293.421 Base-Backbone interact. energy: -1.563 local terms energy: -353.527924 where: bonds (distance) C4'-P energy: -68.382 bonds (distance) P-C4' energy: -65.403 flat angles C4'-P-C4' energy: -73.166 flat angles P-C4'-P energy: -50.291 tors. eta vs tors. theta energy: -96.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -960.488563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.488563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.488563 (E_RNA) where: Base-Base interactions energy: -659.408 where: short stacking energy: -300.986 Base-Backbone interact. energy: -1.141 local terms energy: -299.939894 where: bonds (distance) C4'-P energy: -51.237 bonds (distance) P-C4' energy: -59.426 flat angles C4'-P-C4' energy: -70.950 flat angles P-C4'-P energy: -34.264 tors. eta vs tors. theta energy: -84.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -908.802025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.802025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.802025 (E_RNA) where: Base-Base interactions energy: -620.636 where: short stacking energy: -254.013 Base-Backbone interact. energy: 0.579 local terms energy: -288.744930 where: bonds (distance) C4'-P energy: -48.239 bonds (distance) P-C4' energy: -49.272 flat angles C4'-P-C4' energy: -65.741 flat angles P-C4'-P energy: -55.020 tors. eta vs tors. theta energy: -70.473 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: 10 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -780.355945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.355945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.355945 (E_RNA) where: Base-Base interactions energy: -487.571 where: short stacking energy: -244.656 Base-Backbone interact. energy: -1.277 local terms energy: -291.507901 where: bonds (distance) C4'-P energy: -67.211 bonds (distance) P-C4' energy: -53.843 flat angles C4'-P-C4' energy: -60.488 flat angles P-C4'-P energy: -41.381 tors. eta vs tors. theta energy: -68.585 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: 9 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -636.584838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.584838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.584838 (E_RNA) where: Base-Base interactions energy: -413.049 where: short stacking energy: -185.918 Base-Backbone interact. energy: -0.614 local terms energy: -222.921685 where: bonds (distance) C4'-P energy: -54.215 bonds (distance) P-C4' energy: -52.703 flat angles C4'-P-C4' energy: -50.836 flat angles P-C4'-P energy: -26.497 tors. eta vs tors. theta energy: -38.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -523.342838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.342838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.342838 (E_RNA) where: Base-Base interactions energy: -300.138 where: short stacking energy: -150.389 Base-Backbone interact. energy: 0.256 local terms energy: -223.460223 where: bonds (distance) C4'-P energy: -54.254 bonds (distance) P-C4' energy: -60.256 flat angles C4'-P-C4' energy: -48.920 flat angles P-C4'-P energy: -41.972 tors. eta vs tors. theta energy: -18.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -499.041257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.041257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.041257 (E_RNA) where: Base-Base interactions energy: -296.788 where: short stacking energy: -161.668 Base-Backbone interact. energy: -0.271 local terms energy: -201.982503 where: bonds (distance) C4'-P energy: -46.877 bonds (distance) P-C4' energy: -36.521 flat angles C4'-P-C4' energy: -53.616 flat angles P-C4'-P energy: -39.950 tors. eta vs tors. theta energy: -25.019 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: 2 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -1166.178921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.178921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.178921 (E_RNA) where: Base-Base interactions energy: -810.693 where: short stacking energy: -363.026 Base-Backbone interact. energy: -1.195 local terms energy: -354.290618 where: bonds (distance) C4'-P energy: -58.121 bonds (distance) P-C4' energy: -66.703 flat angles C4'-P-C4' energy: -71.714 flat angles P-C4'-P energy: -48.693 tors. eta vs tors. theta energy: -109.059 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: 8 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -1106.915185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.915185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.915185 (E_RNA) where: Base-Base interactions energy: -760.299 where: short stacking energy: -334.605 Base-Backbone interact. energy: -0.985 local terms energy: -345.630728 where: bonds (distance) C4'-P energy: -70.055 bonds (distance) P-C4' energy: -64.297 flat angles C4'-P-C4' energy: -72.688 flat angles P-C4'-P energy: -45.533 tors. eta vs tors. theta energy: -93.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -1031.035914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.035914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.035914 (E_RNA) where: Base-Base interactions energy: -682.238 where: short stacking energy: -305.568 Base-Backbone interact. energy: -1.389 local terms energy: -347.409112 where: bonds (distance) C4'-P energy: -55.362 bonds (distance) P-C4' energy: -69.981 flat angles C4'-P-C4' energy: -68.499 flat angles P-C4'-P energy: -53.426 tors. eta vs tors. theta energy: -100.141 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: 372 Temperature: 1.050000 Total energy: -1025.118025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.118025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.118025 (E_RNA) where: Base-Base interactions energy: -701.954 where: short stacking energy: -297.427 Base-Backbone interact. energy: 1.151 local terms energy: -324.315014 where: bonds (distance) C4'-P energy: -66.942 bonds (distance) P-C4' energy: -58.892 flat angles C4'-P-C4' energy: -65.820 flat angles P-C4'-P energy: -36.555 tors. eta vs tors. theta energy: -96.106 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: 5, replica: 4 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -941.404701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.404701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.404701 (E_RNA) where: Base-Base interactions energy: -635.175 where: short stacking energy: -277.321 Base-Backbone interact. energy: -1.267 local terms energy: -304.962553 where: bonds (distance) C4'-P energy: -57.557 bonds (distance) P-C4' energy: -64.296 flat angles C4'-P-C4' energy: -67.655 flat angles P-C4'-P energy: -39.184 tors. eta vs tors. theta energy: -76.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -870.311261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.311261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.311261 (E_RNA) where: Base-Base interactions energy: -601.372 where: short stacking energy: -259.732 Base-Backbone interact. energy: -1.456 local terms energy: -267.482927 where: bonds (distance) C4'-P energy: -50.332 bonds (distance) P-C4' energy: -53.017 flat angles C4'-P-C4' energy: -58.593 flat angles P-C4'-P energy: -38.517 tors. eta vs tors. theta energy: -67.023 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: 10 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -776.565035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.565035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.565035 (E_RNA) where: Base-Base interactions energy: -502.346 where: short stacking energy: -226.041 Base-Backbone interact. energy: -3.939 local terms energy: -270.279159 where: bonds (distance) C4'-P energy: -49.471 bonds (distance) P-C4' energy: -57.925 flat angles C4'-P-C4' energy: -57.849 flat angles P-C4'-P energy: -42.984 tors. eta vs tors. theta energy: -62.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -672.567482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.567482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.567482 (E_RNA) where: Base-Base interactions energy: -428.667 where: short stacking energy: -180.960 Base-Backbone interact. energy: 1.294 local terms energy: -245.194274 where: bonds (distance) C4'-P energy: -52.648 bonds (distance) P-C4' energy: -53.625 flat angles C4'-P-C4' energy: -57.505 flat angles P-C4'-P energy: -39.474 tors. eta vs tors. theta energy: -41.942 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: 6 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -535.572399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.572399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.572399 (E_RNA) where: Base-Base interactions energy: -324.499 where: short stacking energy: -163.528 Base-Backbone interact. energy: 4.139 local terms energy: -215.212130 where: bonds (distance) C4'-P energy: -50.325 bonds (distance) P-C4' energy: -39.164 flat angles C4'-P-C4' energy: -58.783 flat angles P-C4'-P energy: -40.066 tors. eta vs tors. theta energy: -26.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -459.272144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.272144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.272144 (E_RNA) where: Base-Base interactions energy: -263.455 where: short stacking energy: -130.358 Base-Backbone interact. energy: 4.016 local terms energy: -199.833761 where: bonds (distance) C4'-P energy: -48.996 bonds (distance) P-C4' energy: -50.900 flat angles C4'-P-C4' energy: -49.194 flat angles P-C4'-P energy: -38.043 tors. eta vs tors. theta energy: -12.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -1169.017609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.017609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.017609 (E_RNA) where: Base-Base interactions energy: -793.907 where: short stacking energy: -357.534 Base-Backbone interact. energy: -1.867 local terms energy: -373.243609 where: bonds (distance) C4'-P energy: -77.620 bonds (distance) P-C4' energy: -67.512 flat angles C4'-P-C4' energy: -70.108 flat angles P-C4'-P energy: -46.612 tors. eta vs tors. theta energy: -111.393 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: 8 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -1094.169748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.169748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.169748 (E_RNA) where: Base-Base interactions energy: -763.545 where: short stacking energy: -314.279 Base-Backbone interact. energy: -1.122 local terms energy: -329.502929 where: bonds (distance) C4'-P energy: -55.197 bonds (distance) P-C4' energy: -67.241 flat angles C4'-P-C4' energy: -71.968 flat angles P-C4'-P energy: -44.016 tors. eta vs tors. theta energy: -91.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -1039.643661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.643661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.643661 (E_RNA) where: Base-Base interactions energy: -705.648 where: short stacking energy: -334.686 Base-Backbone interact. energy: -1.087 local terms energy: -332.908400 where: bonds (distance) C4'-P energy: -53.070 bonds (distance) P-C4' energy: -58.013 flat angles C4'-P-C4' energy: -74.203 flat angles P-C4'-P energy: -48.248 tors. eta vs tors. theta energy: -99.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -1025.020213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.020213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.020213 (E_RNA) where: Base-Base interactions energy: -716.228 where: short stacking energy: -304.139 Base-Backbone interact. energy: -0.235 local terms energy: -308.557164 where: bonds (distance) C4'-P energy: -58.739 bonds (distance) P-C4' energy: -52.517 flat angles C4'-P-C4' energy: -62.670 flat angles P-C4'-P energy: -41.848 tors. eta vs tors. theta energy: -92.783 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: 4 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -919.408035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.408035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.408035 (E_RNA) where: Base-Base interactions energy: -619.755 where: short stacking energy: -263.570 Base-Backbone interact. energy: -0.424 local terms energy: -299.229532 where: bonds (distance) C4'-P energy: -63.306 bonds (distance) P-C4' energy: -58.911 flat angles C4'-P-C4' energy: -65.373 flat angles P-C4'-P energy: -30.279 tors. eta vs tors. theta energy: -81.361 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: 5 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -848.075812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.075812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.075812 (E_RNA) where: Base-Base interactions energy: -567.929 where: short stacking energy: -249.918 Base-Backbone interact. energy: -2.329 local terms energy: -277.818282 where: bonds (distance) C4'-P energy: -55.169 bonds (distance) P-C4' energy: -56.285 flat angles C4'-P-C4' energy: -63.746 flat angles P-C4'-P energy: -39.670 tors. eta vs tors. theta energy: -62.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -773.199623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.199623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.199623 (E_RNA) where: Base-Base interactions energy: -486.987 where: short stacking energy: -209.602 Base-Backbone interact. energy: -0.551 local terms energy: -285.661778 where: bonds (distance) C4'-P energy: -56.858 bonds (distance) P-C4' energy: -61.190 flat angles C4'-P-C4' energy: -61.390 flat angles P-C4'-P energy: -48.907 tors. eta vs tors. theta energy: -57.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -674.167906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.167906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.167906 (E_RNA) where: Base-Base interactions energy: -444.683 where: short stacking energy: -207.288 Base-Backbone interact. energy: 1.610 local terms energy: -231.095119 where: bonds (distance) C4'-P energy: -40.918 bonds (distance) P-C4' energy: -56.749 flat angles C4'-P-C4' energy: -57.181 flat angles P-C4'-P energy: -35.042 tors. eta vs tors. theta energy: -41.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -543.073860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.073860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.073860 (E_RNA) where: Base-Base interactions energy: -322.547 where: short stacking energy: -167.202 Base-Backbone interact. energy: -0.338 local terms energy: -220.188939 where: bonds (distance) C4'-P energy: -45.038 bonds (distance) P-C4' energy: -46.654 flat angles C4'-P-C4' energy: -55.704 flat angles P-C4'-P energy: -42.171 tors. eta vs tors. theta energy: -30.622 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: 7 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -491.969199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.969199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.969199 (E_RNA) where: Base-Base interactions energy: -282.627 where: short stacking energy: -134.843 Base-Backbone interact. energy: 2.765 local terms energy: -212.107509 where: bonds (distance) C4'-P energy: -43.165 bonds (distance) P-C4' energy: -58.702 flat angles C4'-P-C4' energy: -45.623 flat angles P-C4'-P energy: -33.430 tors. eta vs tors. theta energy: -31.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -1172.684547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.684547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.684547 (E_RNA) where: Base-Base interactions energy: -818.744 where: short stacking energy: -365.775 Base-Backbone interact. energy: -0.382 local terms energy: -353.558847 where: bonds (distance) C4'-P energy: -52.889 bonds (distance) P-C4' energy: -61.117 flat angles C4'-P-C4' energy: -71.336 flat angles P-C4'-P energy: -54.474 tors. eta vs tors. theta energy: -113.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -1104.384729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.384729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.384729 (E_RNA) where: Base-Base interactions energy: -771.971 where: short stacking energy: -317.903 Base-Backbone interact. energy: -1.688 local terms energy: -330.725750 where: bonds (distance) C4'-P energy: -62.935 bonds (distance) P-C4' energy: -52.478 flat angles C4'-P-C4' energy: -71.532 flat angles P-C4'-P energy: -53.237 tors. eta vs tors. theta energy: -90.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -1028.449328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.449328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.449328 (E_RNA) where: Base-Base interactions energy: -690.617 where: short stacking energy: -316.640 Base-Backbone interact. energy: -2.523 local terms energy: -335.309188 where: bonds (distance) C4'-P energy: -58.266 bonds (distance) P-C4' energy: -64.634 flat angles C4'-P-C4' energy: -72.082 flat angles P-C4'-P energy: -48.448 tors. eta vs tors. theta energy: -91.880 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: 4, replica: 3 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -981.579079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.579079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.579079 (E_RNA) where: Base-Base interactions energy: -667.851 where: short stacking energy: -310.835 Base-Backbone interact. energy: 0.127 local terms energy: -313.855021 where: bonds (distance) C4'-P energy: -59.788 bonds (distance) P-C4' energy: -61.061 flat angles C4'-P-C4' energy: -70.316 flat angles P-C4'-P energy: -39.718 tors. eta vs tors. theta energy: -82.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -933.287219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.287219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.287219 (E_RNA) where: Base-Base interactions energy: -640.045 where: short stacking energy: -287.755 Base-Backbone interact. energy: -0.447 local terms energy: -292.794932 where: bonds (distance) C4'-P energy: -45.558 bonds (distance) P-C4' energy: -63.099 flat angles C4'-P-C4' energy: -66.056 flat angles P-C4'-P energy: -43.767 tors. eta vs tors. theta energy: -74.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -846.900772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.900772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.900772 (E_RNA) where: Base-Base interactions energy: -581.077 where: short stacking energy: -254.881 Base-Backbone interact. energy: 0.268 local terms energy: -266.091573 where: bonds (distance) C4'-P energy: -58.598 bonds (distance) P-C4' energy: -52.921 flat angles C4'-P-C4' energy: -61.144 flat angles P-C4'-P energy: -30.770 tors. eta vs tors. theta energy: -62.659 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: 10 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -756.588801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.588801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.588801 (E_RNA) where: Base-Base interactions energy: -491.337 where: short stacking energy: -231.670 Base-Backbone interact. energy: 0.620 local terms energy: -265.871687 where: bonds (distance) C4'-P energy: -47.806 bonds (distance) P-C4' energy: -50.106 flat angles C4'-P-C4' energy: -64.804 flat angles P-C4'-P energy: -45.030 tors. eta vs tors. theta energy: -58.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -632.246612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.246612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.246612 (E_RNA) where: Base-Base interactions energy: -392.430 where: short stacking energy: -178.029 Base-Backbone interact. energy: 0.351 local terms energy: -240.167592 where: bonds (distance) C4'-P energy: -53.508 bonds (distance) P-C4' energy: -48.794 flat angles C4'-P-C4' energy: -54.157 flat angles P-C4'-P energy: -38.096 tors. eta vs tors. theta energy: -45.612 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: 7 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -515.858904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.858904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.858904 (E_RNA) where: Base-Base interactions energy: -305.224 where: short stacking energy: -149.281 Base-Backbone interact. energy: -0.575 local terms energy: -210.060326 where: bonds (distance) C4'-P energy: -47.914 bonds (distance) P-C4' energy: -64.589 flat angles C4'-P-C4' energy: -48.937 flat angles P-C4'-P energy: -25.752 tors. eta vs tors. theta energy: -22.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -519.497370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.497370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.497370 (E_RNA) where: Base-Base interactions energy: -316.084 where: short stacking energy: -170.109 Base-Backbone interact. energy: -2.139 local terms energy: -201.274285 where: bonds (distance) C4'-P energy: -37.637 bonds (distance) P-C4' energy: -60.830 flat angles C4'-P-C4' energy: -44.351 flat angles P-C4'-P energy: -32.301 tors. eta vs tors. theta energy: -26.155 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: 2 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -1162.093975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.093975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.093975 (E_RNA) where: Base-Base interactions energy: -814.604 where: short stacking energy: -363.302 Base-Backbone interact. energy: -0.478 local terms energy: -347.012054 where: bonds (distance) C4'-P energy: -50.025 bonds (distance) P-C4' energy: -65.129 flat angles C4'-P-C4' energy: -70.728 flat angles P-C4'-P energy: -48.897 tors. eta vs tors. theta energy: -112.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -1110.226725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.226725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.226725 (E_RNA) where: Base-Base interactions energy: -770.202 where: short stacking energy: -306.030 Base-Backbone interact. energy: 0.275 local terms energy: -340.299484 where: bonds (distance) C4'-P energy: -64.951 bonds (distance) P-C4' energy: -62.118 flat angles C4'-P-C4' energy: -77.397 flat angles P-C4'-P energy: -46.559 tors. eta vs tors. theta energy: -89.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -1050.067339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.067339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.067339 (E_RNA) where: Base-Base interactions energy: -714.538 where: short stacking energy: -306.302 Base-Backbone interact. energy: -0.371 local terms energy: -335.158057 where: bonds (distance) C4'-P energy: -60.303 bonds (distance) P-C4' energy: -62.344 flat angles C4'-P-C4' energy: -72.254 flat angles P-C4'-P energy: -46.104 tors. eta vs tors. theta energy: -94.152 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: 3 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -996.442161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.442161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.442161 (E_RNA) where: Base-Base interactions energy: -668.449 where: short stacking energy: -277.340 Base-Backbone interact. energy: -2.374 local terms energy: -325.618666 where: bonds (distance) C4'-P energy: -68.447 bonds (distance) P-C4' energy: -59.436 flat angles C4'-P-C4' energy: -66.555 flat angles P-C4'-P energy: -45.118 tors. eta vs tors. theta energy: -86.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -922.191389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.191389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.191389 (E_RNA) where: Base-Base interactions energy: -609.406 where: short stacking energy: -262.812 Base-Backbone interact. energy: -1.653 local terms energy: -311.133006 where: bonds (distance) C4'-P energy: -58.687 bonds (distance) P-C4' energy: -64.816 flat angles C4'-P-C4' energy: -72.450 flat angles P-C4'-P energy: -31.317 tors. eta vs tors. theta energy: -83.863 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: 6, replica: 5 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -859.571039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.571039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.571039 (E_RNA) where: Base-Base interactions energy: -598.773 where: short stacking energy: -267.981 Base-Backbone interact. energy: 0.883 local terms energy: -261.681451 where: bonds (distance) C4'-P energy: -48.838 bonds (distance) P-C4' energy: -45.520 flat angles C4'-P-C4' energy: -65.081 flat angles P-C4'-P energy: -31.210 tors. eta vs tors. theta energy: -71.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -723.154053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.154053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.154053 (E_RNA) where: Base-Base interactions energy: -483.140 where: short stacking energy: -224.962 Base-Backbone interact. energy: 2.056 local terms energy: -242.069233 where: bonds (distance) C4'-P energy: -47.403 bonds (distance) P-C4' energy: -46.462 flat angles C4'-P-C4' energy: -50.088 flat angles P-C4'-P energy: -42.679 tors. eta vs tors. theta energy: -55.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -643.927737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.927737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.927737 (E_RNA) where: Base-Base interactions energy: -408.298 where: short stacking energy: -192.402 Base-Backbone interact. energy: -0.545 local terms energy: -235.084827 where: bonds (distance) C4'-P energy: -52.903 bonds (distance) P-C4' energy: -52.562 flat angles C4'-P-C4' energy: -59.470 flat angles P-C4'-P energy: -32.073 tors. eta vs tors. theta energy: -38.076 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: 7 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -567.986544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.986544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.986544 (E_RNA) where: Base-Base interactions energy: -346.398 where: short stacking energy: -156.664 Base-Backbone interact. energy: 7.370 local terms energy: -228.958793 where: bonds (distance) C4'-P energy: -53.390 bonds (distance) P-C4' energy: -59.485 flat angles C4'-P-C4' energy: -55.846 flat angles P-C4'-P energy: -33.912 tors. eta vs tors. theta energy: -26.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -511.935036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.935036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.935036 (E_RNA) where: Base-Base interactions energy: -293.302 where: short stacking energy: -150.910 Base-Backbone interact. energy: 3.894 local terms energy: -222.526685 where: bonds (distance) C4'-P energy: -56.491 bonds (distance) P-C4' energy: -62.292 flat angles C4'-P-C4' energy: -57.101 flat angles P-C4'-P energy: -21.898 tors. eta vs tors. theta energy: -24.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -1175.050976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.050976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.050976 (E_RNA) where: Base-Base interactions energy: -824.634 where: short stacking energy: -358.754 Base-Backbone interact. energy: -1.125 local terms energy: -349.291625 where: bonds (distance) C4'-P energy: -60.024 bonds (distance) P-C4' energy: -60.137 flat angles C4'-P-C4' energy: -68.464 flat angles P-C4'-P energy: -50.702 tors. eta vs tors. theta energy: -109.965 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: 2, replica: 8 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -1100.705937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.705937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.705937 (E_RNA) where: Base-Base interactions energy: -748.712 where: short stacking energy: -311.700 Base-Backbone interact. energy: -0.525 local terms energy: -351.469123 where: bonds (distance) C4'-P energy: -65.856 bonds (distance) P-C4' energy: -65.709 flat angles C4'-P-C4' energy: -76.377 flat angles P-C4'-P energy: -46.362 tors. eta vs tors. theta energy: -97.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -1019.856075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.856075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.856075 (E_RNA) where: Base-Base interactions energy: -697.982 where: short stacking energy: -300.042 Base-Backbone interact. energy: -0.783 local terms energy: -321.090611 where: bonds (distance) C4'-P energy: -61.483 bonds (distance) P-C4' energy: -66.387 flat angles C4'-P-C4' energy: -69.949 flat angles P-C4'-P energy: -37.467 tors. eta vs tors. theta energy: -85.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -1026.651373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.651373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.651373 (E_RNA) where: Base-Base interactions energy: -702.592 where: short stacking energy: -323.296 Base-Backbone interact. energy: -0.532 local terms energy: -323.526931 where: bonds (distance) C4'-P energy: -52.083 bonds (distance) P-C4' energy: -60.717 flat angles C4'-P-C4' energy: -64.924 flat angles P-C4'-P energy: -46.140 tors. eta vs tors. theta energy: -99.663 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: 376 Temperature: 1.100000 Total energy: -933.667312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.667312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.667312 (E_RNA) where: Base-Base interactions energy: -624.195 where: short stacking energy: -264.026 Base-Backbone interact. energy: 0.849 local terms energy: -310.320849 where: bonds (distance) C4'-P energy: -60.341 bonds (distance) P-C4' energy: -58.863 flat angles C4'-P-C4' energy: -66.244 flat angles P-C4'-P energy: -53.848 tors. eta vs tors. theta energy: -71.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -843.144630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.144630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.144630 (E_RNA) where: Base-Base interactions energy: -563.460 where: short stacking energy: -260.088 Base-Backbone interact. energy: -0.782 local terms energy: -278.902198 where: bonds (distance) C4'-P energy: -49.163 bonds (distance) P-C4' energy: -53.360 flat angles C4'-P-C4' energy: -66.055 flat angles P-C4'-P energy: -40.032 tors. eta vs tors. theta energy: -70.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -708.182238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.182238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.182238 (E_RNA) where: Base-Base interactions energy: -454.078 where: short stacking energy: -211.663 Base-Backbone interact. energy: 0.566 local terms energy: -254.670340 where: bonds (distance) C4'-P energy: -53.178 bonds (distance) P-C4' energy: -58.500 flat angles C4'-P-C4' energy: -62.154 flat angles P-C4'-P energy: -32.948 tors. eta vs tors. theta energy: -47.890 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: 9 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -620.626907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.626907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.626907 (E_RNA) where: Base-Base interactions energy: -398.711 where: short stacking energy: -183.828 Base-Backbone interact. energy: -1.287 local terms energy: -220.629356 where: bonds (distance) C4'-P energy: -41.045 bonds (distance) P-C4' energy: -59.592 flat angles C4'-P-C4' energy: -48.320 flat angles P-C4'-P energy: -37.413 tors. eta vs tors. theta energy: -34.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -573.475630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.475630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.475630 (E_RNA) where: Base-Base interactions energy: -357.779 where: short stacking energy: -168.644 Base-Backbone interact. energy: 1.184 local terms energy: -216.880734 where: bonds (distance) C4'-P energy: -59.291 bonds (distance) P-C4' energy: -56.662 flat angles C4'-P-C4' energy: -34.213 flat angles P-C4'-P energy: -38.247 tors. eta vs tors. theta energy: -28.467 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: 6 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -489.847249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.847249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.847249 (E_RNA) where: Base-Base interactions energy: -270.629 where: short stacking energy: -111.735 Base-Backbone interact. energy: -0.608 local terms energy: -218.610262 where: bonds (distance) C4'-P energy: -49.547 bonds (distance) P-C4' energy: -70.754 flat angles C4'-P-C4' energy: -50.185 flat angles P-C4'-P energy: -28.171 tors. eta vs tors. theta energy: -19.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -1176.178700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.178700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.178700 (E_RNA) where: Base-Base interactions energy: -811.146 where: short stacking energy: -352.428 Base-Backbone interact. energy: -1.243 local terms energy: -363.789914 where: bonds (distance) C4'-P energy: -63.225 bonds (distance) P-C4' energy: -65.856 flat angles C4'-P-C4' energy: -75.683 flat angles P-C4'-P energy: -50.793 tors. eta vs tors. theta energy: -108.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -1107.093687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.093687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.093687 (E_RNA) where: Base-Base interactions energy: -764.285 where: short stacking energy: -322.443 Base-Backbone interact. energy: -1.024 local terms energy: -341.784477 where: bonds (distance) C4'-P energy: -50.733 bonds (distance) P-C4' energy: -61.106 flat angles C4'-P-C4' energy: -73.905 flat angles P-C4'-P energy: -57.941 tors. eta vs tors. theta energy: -98.100 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: 3 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -1036.087195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.087195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.087195 (E_RNA) where: Base-Base interactions energy: -709.027 where: short stacking energy: -311.365 Base-Backbone interact. energy: -1.097 local terms energy: -325.963297 where: bonds (distance) C4'-P energy: -51.560 bonds (distance) P-C4' energy: -61.780 flat angles C4'-P-C4' energy: -72.432 flat angles P-C4'-P energy: -51.049 tors. eta vs tors. theta energy: -89.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -1007.182102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.182102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.182102 (E_RNA) where: Base-Base interactions energy: -690.896 where: short stacking energy: -310.231 Base-Backbone interact. energy: -1.782 local terms energy: -314.503966 where: bonds (distance) C4'-P energy: -57.957 bonds (distance) P-C4' energy: -63.517 flat angles C4'-P-C4' energy: -67.001 flat angles P-C4'-P energy: -38.593 tors. eta vs tors. theta energy: -87.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -912.739774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.739774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.739774 (E_RNA) where: Base-Base interactions energy: -623.362 where: short stacking energy: -269.300 Base-Backbone interact. energy: -0.289 local terms energy: -289.089325 where: bonds (distance) C4'-P energy: -55.483 bonds (distance) P-C4' energy: -63.222 flat angles C4'-P-C4' energy: -58.352 flat angles P-C4'-P energy: -40.654 tors. eta vs tors. theta energy: -71.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -848.548493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.548493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.548493 (E_RNA) where: Base-Base interactions energy: -570.984 where: short stacking energy: -265.651 Base-Backbone interact. energy: -0.759 local terms energy: -276.805116 where: bonds (distance) C4'-P energy: -50.649 bonds (distance) P-C4' energy: -57.442 flat angles C4'-P-C4' energy: -59.328 flat angles P-C4'-P energy: -43.063 tors. eta vs tors. theta energy: -66.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -692.722381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.722381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.722381 (E_RNA) where: Base-Base interactions energy: -448.515 where: short stacking energy: -195.375 Base-Backbone interact. energy: -2.253 local terms energy: -241.954693 where: bonds (distance) C4'-P energy: -50.987 bonds (distance) P-C4' energy: -45.748 flat angles C4'-P-C4' energy: -58.255 flat angles P-C4'-P energy: -43.934 tors. eta vs tors. theta energy: -43.031 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: 9 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -619.485859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.485859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.485859 (E_RNA) where: Base-Base interactions energy: -398.594 where: short stacking energy: -170.062 Base-Backbone interact. energy: 2.692 local terms energy: -223.583909 where: bonds (distance) C4'-P energy: -37.280 bonds (distance) P-C4' energy: -65.679 flat angles C4'-P-C4' energy: -57.781 flat angles P-C4'-P energy: -31.519 tors. eta vs tors. theta energy: -31.325 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: 9, replica: 7 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -532.433537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.433537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.433537 (E_RNA) where: Base-Base interactions energy: -321.878 where: short stacking energy: -160.779 Base-Backbone interact. energy: 0.380 local terms energy: -210.935366 where: bonds (distance) C4'-P energy: -50.086 bonds (distance) P-C4' energy: -57.324 flat angles C4'-P-C4' energy: -48.271 flat angles P-C4'-P energy: -29.267 tors. eta vs tors. theta energy: -25.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -491.709594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.709594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.709594 (E_RNA) where: Base-Base interactions energy: -272.723 where: short stacking energy: -123.837 Base-Backbone interact. energy: -0.100 local terms energy: -218.886764 where: bonds (distance) C4'-P energy: -59.767 bonds (distance) P-C4' energy: -56.870 flat angles C4'-P-C4' energy: -52.922 flat angles P-C4'-P energy: -25.830 tors. eta vs tors. theta energy: -23.497 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: 1, replica: 2 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -1160.859406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.859406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.859406 (E_RNA) where: Base-Base interactions energy: -792.362 where: short stacking energy: -322.955 Base-Backbone interact. energy: -0.894 local terms energy: -367.602807 where: bonds (distance) C4'-P energy: -72.337 bonds (distance) P-C4' energy: -65.127 flat angles C4'-P-C4' energy: -68.171 flat angles P-C4'-P energy: -56.226 tors. eta vs tors. theta energy: -105.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -1098.884847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.884847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.884847 (E_RNA) where: Base-Base interactions energy: -752.968 where: short stacking energy: -305.180 Base-Backbone interact. energy: -1.102 local terms energy: -344.814145 where: bonds (distance) C4'-P energy: -61.840 bonds (distance) P-C4' energy: -54.668 flat angles C4'-P-C4' energy: -77.981 flat angles P-C4'-P energy: -54.964 tors. eta vs tors. theta energy: -95.360 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: 1 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -1009.286714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.286714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.286714 (E_RNA) where: Base-Base interactions energy: -676.391 where: short stacking energy: -305.211 Base-Backbone interact. energy: -2.435 local terms energy: -330.460314 where: bonds (distance) C4'-P energy: -58.243 bonds (distance) P-C4' energy: -55.196 flat angles C4'-P-C4' energy: -71.191 flat angles P-C4'-P energy: -52.758 tors. eta vs tors. theta energy: -93.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -997.908280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.908280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.908280 (E_RNA) where: Base-Base interactions energy: -675.785 where: short stacking energy: -292.304 Base-Backbone interact. energy: -0.801 local terms energy: -321.322505 where: bonds (distance) C4'-P energy: -55.588 bonds (distance) P-C4' energy: -63.803 flat angles C4'-P-C4' energy: -70.947 flat angles P-C4'-P energy: -48.939 tors. eta vs tors. theta energy: -82.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -938.913316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.913316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.913316 (E_RNA) where: Base-Base interactions energy: -670.647 where: short stacking energy: -274.622 Base-Backbone interact. energy: -1.323 local terms energy: -266.942772 where: bonds (distance) C4'-P energy: -39.095 bonds (distance) P-C4' energy: -50.830 flat angles C4'-P-C4' energy: -55.186 flat angles P-C4'-P energy: -47.434 tors. eta vs tors. theta energy: -74.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -832.808952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.808952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.808952 (E_RNA) where: Base-Base interactions energy: -562.624 where: short stacking energy: -246.814 Base-Backbone interact. energy: -2.809 local terms energy: -267.375950 where: bonds (distance) C4'-P energy: -46.899 bonds (distance) P-C4' energy: -49.794 flat angles C4'-P-C4' energy: -68.526 flat angles P-C4'-P energy: -38.107 tors. eta vs tors. theta energy: -64.049 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: 10 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -679.053641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.053641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.053641 (E_RNA) where: Base-Base interactions energy: -438.797 where: short stacking energy: -184.873 Base-Backbone interact. energy: 1.020 local terms energy: -241.277035 where: bonds (distance) C4'-P energy: -47.060 bonds (distance) P-C4' energy: -72.088 flat angles C4'-P-C4' energy: -54.677 flat angles P-C4'-P energy: -33.936 tors. eta vs tors. theta energy: -33.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -639.677036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.677036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.677036 (E_RNA) where: Base-Base interactions energy: -409.079 where: short stacking energy: -196.490 Base-Backbone interact. energy: -1.320 local terms energy: -229.278875 where: bonds (distance) C4'-P energy: -39.937 bonds (distance) P-C4' energy: -62.304 flat angles C4'-P-C4' energy: -51.119 flat angles P-C4'-P energy: -29.450 tors. eta vs tors. theta energy: -46.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -545.489909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.489909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.489909 (E_RNA) where: Base-Base interactions energy: -336.610 where: short stacking energy: -155.723 Base-Backbone interact. energy: 2.414 local terms energy: -211.294037 where: bonds (distance) C4'-P energy: -42.162 bonds (distance) P-C4' energy: -57.338 flat angles C4'-P-C4' energy: -62.234 flat angles P-C4'-P energy: -32.251 tors. eta vs tors. theta energy: -17.309 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: 10, replica: 6 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -485.914995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.914995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.914995 (E_RNA) where: Base-Base interactions energy: -295.626 where: short stacking energy: -152.308 Base-Backbone interact. energy: -1.222 local terms energy: -189.067756 where: bonds (distance) C4'-P energy: -40.672 bonds (distance) P-C4' energy: -53.123 flat angles C4'-P-C4' energy: -50.282 flat angles P-C4'-P energy: -23.053 tors. eta vs tors. theta energy: -21.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -1166.163665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.163665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.163665 (E_RNA) where: Base-Base interactions energy: -808.652 where: short stacking energy: -349.855 Base-Backbone interact. energy: 1.373 local terms energy: -358.884566 where: bonds (distance) C4'-P energy: -67.811 bonds (distance) P-C4' energy: -59.080 flat angles C4'-P-C4' energy: -75.235 flat angles P-C4'-P energy: -50.818 tors. eta vs tors. theta energy: -105.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -1102.791211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.791211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.791211 (E_RNA) where: Base-Base interactions energy: -749.149 where: short stacking energy: -292.208 Base-Backbone interact. energy: -1.156 local terms energy: -352.486666 where: bonds (distance) C4'-P energy: -69.183 bonds (distance) P-C4' energy: -72.916 flat angles C4'-P-C4' energy: -68.829 flat angles P-C4'-P energy: -48.092 tors. eta vs tors. theta energy: -93.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -1038.817796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.817796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.817796 (E_RNA) where: Base-Base interactions energy: -697.620 where: short stacking energy: -302.376 Base-Backbone interact. energy: 1.079 local terms energy: -342.276721 where: bonds (distance) C4'-P energy: -55.711 bonds (distance) P-C4' energy: -68.399 flat angles C4'-P-C4' energy: -68.772 flat angles P-C4'-P energy: -50.930 tors. eta vs tors. theta energy: -98.466 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: 5 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -953.431559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.431559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.431559 (E_RNA) where: Base-Base interactions energy: -667.026 where: short stacking energy: -274.152 Base-Backbone interact. energy: -2.173 local terms energy: -284.232286 where: bonds (distance) C4'-P energy: -43.625 bonds (distance) P-C4' energy: -48.993 flat angles C4'-P-C4' energy: -71.098 flat angles P-C4'-P energy: -43.126 tors. eta vs tors. theta energy: -77.391 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: 3 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -965.323319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.323319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.323319 (E_RNA) where: Base-Base interactions energy: -647.329 where: short stacking energy: -287.305 Base-Backbone interact. energy: 0.832 local terms energy: -318.826830 where: bonds (distance) C4'-P energy: -62.464 bonds (distance) P-C4' energy: -55.180 flat angles C4'-P-C4' energy: -65.391 flat angles P-C4'-P energy: -49.827 tors. eta vs tors. theta energy: -85.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -841.091654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.091654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.091654 (E_RNA) where: Base-Base interactions energy: -556.093 where: short stacking energy: -241.791 Base-Backbone interact. energy: -1.701 local terms energy: -283.296849 where: bonds (distance) C4'-P energy: -61.463 bonds (distance) P-C4' energy: -64.289 flat angles C4'-P-C4' energy: -61.415 flat angles P-C4'-P energy: -31.799 tors. eta vs tors. theta energy: -64.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -728.563182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.563182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.563182 (E_RNA) where: Base-Base interactions energy: -460.750 where: short stacking energy: -215.680 Base-Backbone interact. energy: -1.557 local terms energy: -266.256345 where: bonds (distance) C4'-P energy: -54.283 bonds (distance) P-C4' energy: -54.767 flat angles C4'-P-C4' energy: -63.622 flat angles P-C4'-P energy: -42.387 tors. eta vs tors. theta energy: -51.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -730.001417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.001417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.001417 (E_RNA) where: Base-Base interactions energy: -468.128 where: short stacking energy: -203.435 Base-Backbone interact. energy: -0.826 local terms energy: -261.047865 where: bonds (distance) C4'-P energy: -54.176 bonds (distance) P-C4' energy: -60.591 flat angles C4'-P-C4' energy: -67.918 flat angles P-C4'-P energy: -30.999 tors. eta vs tors. theta energy: -47.363 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: 9, replica: 7 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -505.888491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.888491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.888491 (E_RNA) where: Base-Base interactions energy: -284.590 where: short stacking energy: -156.555 Base-Backbone interact. energy: 1.597 local terms energy: -222.895665 where: bonds (distance) C4'-P energy: -43.570 bonds (distance) P-C4' energy: -66.822 flat angles C4'-P-C4' energy: -48.345 flat angles P-C4'-P energy: -30.084 tors. eta vs tors. theta energy: -34.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -526.870647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.870647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.870647 (E_RNA) where: Base-Base interactions energy: -302.242 where: short stacking energy: -145.436 Base-Backbone interact. energy: -1.246 local terms energy: -223.382886 where: bonds (distance) C4'-P energy: -51.551 bonds (distance) P-C4' energy: -55.825 flat angles C4'-P-C4' energy: -54.330 flat angles P-C4'-P energy: -30.554 tors. eta vs tors. theta energy: -31.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -1170.902180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.902180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.902180 (E_RNA) where: Base-Base interactions energy: -829.267 where: short stacking energy: -373.728 Base-Backbone interact. energy: -0.603 local terms energy: -341.032394 where: bonds (distance) C4'-P energy: -54.274 bonds (distance) P-C4' energy: -51.141 flat angles C4'-P-C4' energy: -72.705 flat angles P-C4'-P energy: -52.293 tors. eta vs tors. theta energy: -110.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -1118.227736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.227736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.227736 (E_RNA) where: Base-Base interactions energy: -765.712 where: short stacking energy: -332.042 Base-Backbone interact. energy: -1.749 local terms energy: -350.765950 where: bonds (distance) C4'-P energy: -55.046 bonds (distance) P-C4' energy: -61.268 flat angles C4'-P-C4' energy: -75.610 flat angles P-C4'-P energy: -55.609 tors. eta vs tors. theta energy: -103.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -1039.168517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.168517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.168517 (E_RNA) where: Base-Base interactions energy: -696.054 where: short stacking energy: -307.076 Base-Backbone interact. energy: -1.714 local terms energy: -341.400715 where: bonds (distance) C4'-P energy: -66.501 bonds (distance) P-C4' energy: -63.800 flat angles C4'-P-C4' energy: -70.580 flat angles P-C4'-P energy: -45.964 tors. eta vs tors. theta energy: -94.556 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: 5 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -939.802527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.802527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.802527 (E_RNA) where: Base-Base interactions energy: -648.822 where: short stacking energy: -276.940 Base-Backbone interact. energy: -0.118 local terms energy: -290.862923 where: bonds (distance) C4'-P energy: -57.076 bonds (distance) P-C4' energy: -64.023 flat angles C4'-P-C4' energy: -63.881 flat angles P-C4'-P energy: -29.774 tors. eta vs tors. theta energy: -76.109 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: 3 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -964.123900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.123900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.123900 (E_RNA) where: Base-Base interactions energy: -659.384 where: short stacking energy: -281.870 Base-Backbone interact. energy: -0.872 local terms energy: -303.867744 where: bonds (distance) C4'-P energy: -51.866 bonds (distance) P-C4' energy: -54.524 flat angles C4'-P-C4' energy: -69.646 flat angles P-C4'-P energy: -41.382 tors. eta vs tors. theta energy: -86.449 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: 4 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -875.181655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.181655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.181655 (E_RNA) where: Base-Base interactions energy: -586.925 where: short stacking energy: -264.120 Base-Backbone interact. energy: -1.233 local terms energy: -287.023690 where: bonds (distance) C4'-P energy: -59.358 bonds (distance) P-C4' energy: -51.388 flat angles C4'-P-C4' energy: -58.987 flat angles P-C4'-P energy: -39.179 tors. eta vs tors. theta energy: -78.111 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: 9 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -738.527281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.527281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.527281 (E_RNA) where: Base-Base interactions energy: -483.510 where: short stacking energy: -227.078 Base-Backbone interact. energy: 6.664 local terms energy: -261.681774 where: bonds (distance) C4'-P energy: -52.226 bonds (distance) P-C4' energy: -63.200 flat angles C4'-P-C4' energy: -56.464 flat angles P-C4'-P energy: -40.194 tors. eta vs tors. theta energy: -49.598 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: 380 Temperature: 1.250000 Total energy: -699.407700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.407700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.407700 (E_RNA) where: Base-Base interactions energy: -468.804 where: short stacking energy: -219.670 Base-Backbone interact. energy: 0.684 local terms energy: -231.287272 where: bonds (distance) C4'-P energy: -48.344 bonds (distance) P-C4' energy: -49.806 flat angles C4'-P-C4' energy: -46.099 flat angles P-C4'-P energy: -33.224 tors. eta vs tors. theta energy: -53.814 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: 6 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -552.941463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.941463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.941463 (E_RNA) where: Base-Base interactions energy: -321.056 where: short stacking energy: -160.286 Base-Backbone interact. energy: 0.574 local terms energy: -232.459526 where: bonds (distance) C4'-P energy: -46.880 bonds (distance) P-C4' energy: -56.657 flat angles C4'-P-C4' energy: -55.963 flat angles P-C4'-P energy: -44.301 tors. eta vs tors. theta energy: -28.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -526.449950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.449950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.449950 (E_RNA) where: Base-Base interactions energy: -323.835 where: short stacking energy: -156.912 Base-Backbone interact. energy: -0.525 local terms energy: -202.089698 where: bonds (distance) C4'-P energy: -39.691 bonds (distance) P-C4' energy: -49.960 flat angles C4'-P-C4' energy: -43.313 flat angles P-C4'-P energy: -35.189 tors. eta vs tors. theta energy: -33.936 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: 2 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -1169.710198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.710198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.710198 (E_RNA) where: Base-Base interactions energy: -804.741 where: short stacking energy: -350.314 Base-Backbone interact. energy: -0.204 local terms energy: -364.765134 where: bonds (distance) C4'-P energy: -60.968 bonds (distance) P-C4' energy: -75.012 flat angles C4'-P-C4' energy: -69.646 flat angles P-C4'-P energy: -47.436 tors. eta vs tors. theta energy: -111.703 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: 2, replica: 8 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -1099.030509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.030509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.030509 (E_RNA) where: Base-Base interactions energy: -753.473 where: short stacking energy: -312.791 Base-Backbone interact. energy: -1.858 local terms energy: -343.699662 where: bonds (distance) C4'-P energy: -60.319 bonds (distance) P-C4' energy: -67.444 flat angles C4'-P-C4' energy: -69.862 flat angles P-C4'-P energy: -52.527 tors. eta vs tors. theta energy: -93.548 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: 1 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -1011.426778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.426778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.426778 (E_RNA) where: Base-Base interactions energy: -681.305 where: short stacking energy: -309.995 Base-Backbone interact. energy: -1.370 local terms energy: -328.751809 where: bonds (distance) C4'-P energy: -61.648 bonds (distance) P-C4' energy: -56.956 flat angles C4'-P-C4' energy: -68.932 flat angles P-C4'-P energy: -47.847 tors. eta vs tors. theta energy: -93.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -973.698061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.698061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.698061 (E_RNA) where: Base-Base interactions energy: -667.252 where: short stacking energy: -304.675 Base-Backbone interact. energy: -0.664 local terms energy: -305.782011 where: bonds (distance) C4'-P energy: -55.596 bonds (distance) P-C4' energy: -50.392 flat angles C4'-P-C4' energy: -63.088 flat angles P-C4'-P energy: -40.710 tors. eta vs tors. theta energy: -95.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -917.186056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.186056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.186056 (E_RNA) where: Base-Base interactions energy: -635.704 where: short stacking energy: -272.433 Base-Backbone interact. energy: -3.108 local terms energy: -278.373722 where: bonds (distance) C4'-P energy: -52.280 bonds (distance) P-C4' energy: -46.931 flat angles C4'-P-C4' energy: -62.622 flat angles P-C4'-P energy: -43.213 tors. eta vs tors. theta energy: -73.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -833.301069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.301069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.301069 (E_RNA) where: Base-Base interactions energy: -558.477 where: short stacking energy: -246.395 Base-Backbone interact. energy: -1.129 local terms energy: -273.694715 where: bonds (distance) C4'-P energy: -54.961 bonds (distance) P-C4' energy: -47.887 flat angles C4'-P-C4' energy: -49.029 flat angles P-C4'-P energy: -47.992 tors. eta vs tors. theta energy: -73.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -727.851574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.851574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.851574 (E_RNA) where: Base-Base interactions energy: -462.295 where: short stacking energy: -204.183 Base-Backbone interact. energy: -0.605 local terms energy: -264.952085 where: bonds (distance) C4'-P energy: -57.836 bonds (distance) P-C4' energy: -50.001 flat angles C4'-P-C4' energy: -62.815 flat angles P-C4'-P energy: -43.792 tors. eta vs tors. theta energy: -50.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -698.019647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.019647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.019647 (E_RNA) where: Base-Base interactions energy: -460.804 where: short stacking energy: -219.705 Base-Backbone interact. energy: -0.834 local terms energy: -236.381413 where: bonds (distance) C4'-P energy: -56.720 bonds (distance) P-C4' energy: -51.256 flat angles C4'-P-C4' energy: -50.352 flat angles P-C4'-P energy: -37.333 tors. eta vs tors. theta energy: -40.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -636.208811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.208811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.208811 (E_RNA) where: Base-Base interactions energy: -398.926 where: short stacking energy: -181.869 Base-Backbone interact. energy: -1.008 local terms energy: -236.274404 where: bonds (distance) C4'-P energy: -50.841 bonds (distance) P-C4' energy: -54.250 flat angles C4'-P-C4' energy: -52.937 flat angles P-C4'-P energy: -30.503 tors. eta vs tors. theta energy: -47.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -497.545367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.545367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.545367 (E_RNA) where: Base-Base interactions energy: -304.245 where: short stacking energy: -147.052 Base-Backbone interact. energy: -0.793 local terms energy: -192.507980 where: bonds (distance) C4'-P energy: -33.311 bonds (distance) P-C4' energy: -51.696 flat angles C4'-P-C4' energy: -51.790 flat angles P-C4'-P energy: -23.455 tors. eta vs tors. theta energy: -32.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -1173.872825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.872825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.872825 (E_RNA) where: Base-Base interactions energy: -811.901 where: short stacking energy: -362.070 Base-Backbone interact. energy: -0.510 local terms energy: -361.461717 where: bonds (distance) C4'-P energy: -60.069 bonds (distance) P-C4' energy: -63.976 flat angles C4'-P-C4' energy: -78.453 flat angles P-C4'-P energy: -46.611 tors. eta vs tors. theta energy: -112.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -1115.073860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.073860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.073860 (E_RNA) where: Base-Base interactions energy: -780.306 where: short stacking energy: -333.834 Base-Backbone interact. energy: 0.068 local terms energy: -334.836209 where: bonds (distance) C4'-P energy: -65.897 bonds (distance) P-C4' energy: -58.505 flat angles C4'-P-C4' energy: -56.847 flat angles P-C4'-P energy: -49.344 tors. eta vs tors. theta energy: -104.243 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: 1 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -1022.012509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.012509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.012509 (E_RNA) where: Base-Base interactions energy: -695.202 where: short stacking energy: -309.765 Base-Backbone interact. energy: -2.062 local terms energy: -324.748917 where: bonds (distance) C4'-P energy: -56.323 bonds (distance) P-C4' energy: -58.226 flat angles C4'-P-C4' energy: -62.687 flat angles P-C4'-P energy: -46.386 tors. eta vs tors. theta energy: -101.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -998.767055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.767055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.767055 (E_RNA) where: Base-Base interactions energy: -682.004 where: short stacking energy: -296.728 Base-Backbone interact. energy: -0.373 local terms energy: -316.389975 where: bonds (distance) C4'-P energy: -52.114 bonds (distance) P-C4' energy: -61.909 flat angles C4'-P-C4' energy: -67.194 flat angles P-C4'-P energy: -47.204 tors. eta vs tors. theta energy: -87.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -906.715745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.715745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.715745 (E_RNA) where: Base-Base interactions energy: -625.051 where: short stacking energy: -261.448 Base-Backbone interact. energy: -1.294 local terms energy: -280.371023 where: bonds (distance) C4'-P energy: -46.751 bonds (distance) P-C4' energy: -62.867 flat angles C4'-P-C4' energy: -63.103 flat angles P-C4'-P energy: -27.545 tors. eta vs tors. theta energy: -80.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -879.348427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.348427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.348427 (E_RNA) where: Base-Base interactions energy: -582.055 where: short stacking energy: -257.783 Base-Backbone interact. energy: -0.927 local terms energy: -296.366212 where: bonds (distance) C4'-P energy: -53.516 bonds (distance) P-C4' energy: -61.590 flat angles C4'-P-C4' energy: -66.395 flat angles P-C4'-P energy: -45.944 tors. eta vs tors. theta energy: -68.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -686.688362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.688362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.688362 (E_RNA) where: Base-Base interactions energy: -437.439 where: short stacking energy: -215.777 Base-Backbone interact. energy: -1.365 local terms energy: -247.884527 where: bonds (distance) C4'-P energy: -55.011 bonds (distance) P-C4' energy: -55.604 flat angles C4'-P-C4' energy: -43.174 flat angles P-C4'-P energy: -43.575 tors. eta vs tors. theta energy: -50.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -692.320787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.320787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.320787 (E_RNA) where: Base-Base interactions energy: -456.019 where: short stacking energy: -197.928 Base-Backbone interact. energy: -0.378 local terms energy: -235.924189 where: bonds (distance) C4'-P energy: -36.584 bonds (distance) P-C4' energy: -56.253 flat angles C4'-P-C4' energy: -57.604 flat angles P-C4'-P energy: -40.656 tors. eta vs tors. theta energy: -44.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -600.380318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.380318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.380318 (E_RNA) where: Base-Base interactions energy: -372.510 where: short stacking energy: -171.997 Base-Backbone interact. energy: -0.638 local terms energy: -227.232756 where: bonds (distance) C4'-P energy: -53.309 bonds (distance) P-C4' energy: -61.308 flat angles C4'-P-C4' energy: -42.230 flat angles P-C4'-P energy: -33.012 tors. eta vs tors. theta energy: -37.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -493.457359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.457359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.457359 (E_RNA) where: Base-Base interactions energy: -301.941 where: short stacking energy: -161.301 Base-Backbone interact. energy: 2.562 local terms energy: -194.078270 where: bonds (distance) C4'-P energy: -46.875 bonds (distance) P-C4' energy: -63.342 flat angles C4'-P-C4' energy: -44.968 flat angles P-C4'-P energy: -15.180 tors. eta vs tors. theta energy: -23.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -1183.126481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.126481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.126481 (E_RNA) where: Base-Base interactions energy: -823.384 where: short stacking energy: -355.080 Base-Backbone interact. energy: -1.017 local terms energy: -358.724943 where: bonds (distance) C4'-P energy: -58.194 bonds (distance) P-C4' energy: -54.523 flat angles C4'-P-C4' energy: -79.352 flat angles P-C4'-P energy: -50.351 tors. eta vs tors. theta energy: -116.305 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: 8 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -1116.886606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.886606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.886606 (E_RNA) where: Base-Base interactions energy: -757.276 where: short stacking energy: -328.958 Base-Backbone interact. energy: -1.945 local terms energy: -357.665452 where: bonds (distance) C4'-P energy: -65.741 bonds (distance) P-C4' energy: -62.349 flat angles C4'-P-C4' energy: -77.371 flat angles P-C4'-P energy: -51.448 tors. eta vs tors. theta energy: -100.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -1036.575713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.575713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.575713 (E_RNA) where: Base-Base interactions energy: -700.518 where: short stacking energy: -305.891 Base-Backbone interact. energy: -1.020 local terms energy: -335.037366 where: bonds (distance) C4'-P energy: -59.506 bonds (distance) P-C4' energy: -61.838 flat angles C4'-P-C4' energy: -73.205 flat angles P-C4'-P energy: -39.872 tors. eta vs tors. theta energy: -100.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -986.213940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.213940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.213940 (E_RNA) where: Base-Base interactions energy: -685.876 where: short stacking energy: -314.182 Base-Backbone interact. energy: 2.777 local terms energy: -303.114199 where: bonds (distance) C4'-P energy: -51.489 bonds (distance) P-C4' energy: -58.320 flat angles C4'-P-C4' energy: -66.421 flat angles P-C4'-P energy: -42.938 tors. eta vs tors. theta energy: -83.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -894.927140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.927140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.927140 (E_RNA) where: Base-Base interactions energy: -599.644 where: short stacking energy: -262.530 Base-Backbone interact. energy: -1.233 local terms energy: -294.050019 where: bonds (distance) C4'-P energy: -54.945 bonds (distance) P-C4' energy: -61.743 flat angles C4'-P-C4' energy: -60.948 flat angles P-C4'-P energy: -46.064 tors. eta vs tors. theta energy: -70.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -876.459033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.459033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.459033 (E_RNA) where: Base-Base interactions energy: -588.369 where: short stacking energy: -251.792 Base-Backbone interact. energy: -1.072 local terms energy: -287.018228 where: bonds (distance) C4'-P energy: -51.571 bonds (distance) P-C4' energy: -62.626 flat angles C4'-P-C4' energy: -68.045 flat angles P-C4'-P energy: -37.131 tors. eta vs tors. theta energy: -67.645 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: 10 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -709.159508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.159508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.159508 (E_RNA) where: Base-Base interactions energy: -439.546 where: short stacking energy: -234.083 Base-Backbone interact. energy: 3.712 local terms energy: -273.324853 where: bonds (distance) C4'-P energy: -64.301 bonds (distance) P-C4' energy: -56.404 flat angles C4'-P-C4' energy: -54.630 flat angles P-C4'-P energy: -34.985 tors. eta vs tors. theta energy: -63.006 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: 9 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -687.551275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.551275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.551275 (E_RNA) where: Base-Base interactions energy: -426.182 where: short stacking energy: -196.749 Base-Backbone interact. energy: 1.563 local terms energy: -262.931942 where: bonds (distance) C4'-P energy: -67.563 bonds (distance) P-C4' energy: -57.366 flat angles C4'-P-C4' energy: -54.148 flat angles P-C4'-P energy: -45.202 tors. eta vs tors. theta energy: -38.653 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: 6 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -554.269289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.269289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.269289 (E_RNA) where: Base-Base interactions energy: -331.310 where: short stacking energy: -169.098 Base-Backbone interact. energy: -0.931 local terms energy: -222.028212 where: bonds (distance) C4'-P energy: -45.839 bonds (distance) P-C4' energy: -60.087 flat angles C4'-P-C4' energy: -56.322 flat angles P-C4'-P energy: -27.071 tors. eta vs tors. theta energy: -32.709 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: 10, replica: 7 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -493.826875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.826875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.826875 (E_RNA) where: Base-Base interactions energy: -280.874 where: short stacking energy: -154.193 Base-Backbone interact. energy: 0.977 local terms energy: -213.930092 where: bonds (distance) C4'-P energy: -54.788 bonds (distance) P-C4' energy: -47.925 flat angles C4'-P-C4' energy: -55.633 flat angles P-C4'-P energy: -33.534 tors. eta vs tors. theta energy: -22.050 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: 1, replica: 2 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -1183.490556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.490556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.490556 (E_RNA) where: Base-Base interactions energy: -816.617 where: short stacking energy: -352.671 Base-Backbone interact. energy: -0.213 local terms energy: -366.661072 where: bonds (distance) C4'-P energy: -63.421 bonds (distance) P-C4' energy: -61.856 flat angles C4'-P-C4' energy: -80.014 flat angles P-C4'-P energy: -53.150 tors. eta vs tors. theta energy: -108.220 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: 8 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -1096.916495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.916495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.916495 (E_RNA) where: Base-Base interactions energy: -764.914 where: short stacking energy: -318.203 Base-Backbone interact. energy: 1.922 local terms energy: -333.924690 where: bonds (distance) C4'-P energy: -56.877 bonds (distance) P-C4' energy: -62.283 flat angles C4'-P-C4' energy: -71.279 flat angles P-C4'-P energy: -50.544 tors. eta vs tors. theta energy: -92.942 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: 1 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -1017.157839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.157839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.157839 (E_RNA) where: Base-Base interactions energy: -695.193 where: short stacking energy: -297.423 Base-Backbone interact. energy: 0.063 local terms energy: -322.027605 where: bonds (distance) C4'-P energy: -59.247 bonds (distance) P-C4' energy: -60.039 flat angles C4'-P-C4' energy: -63.554 flat angles P-C4'-P energy: -38.551 tors. eta vs tors. theta energy: -100.636 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: 384 Temperature: 1.050000 Total energy: -1014.267404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.267404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.267404 (E_RNA) where: Base-Base interactions energy: -692.699 where: short stacking energy: -291.476 Base-Backbone interact. energy: -0.643 local terms energy: -320.925132 where: bonds (distance) C4'-P energy: -65.378 bonds (distance) P-C4' energy: -59.990 flat angles C4'-P-C4' energy: -64.515 flat angles P-C4'-P energy: -50.492 tors. eta vs tors. theta energy: -80.549 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: 5, replica: 5 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -914.387035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.387035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.387035 (E_RNA) where: Base-Base interactions energy: -616.044 where: short stacking energy: -264.197 Base-Backbone interact. energy: -1.859 local terms energy: -296.483799 where: bonds (distance) C4'-P energy: -69.176 bonds (distance) P-C4' energy: -56.668 flat angles C4'-P-C4' energy: -63.557 flat angles P-C4'-P energy: -38.524 tors. eta vs tors. theta energy: -68.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -843.315718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.315718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.315718 (E_RNA) where: Base-Base interactions energy: -559.951 where: short stacking energy: -235.552 Base-Backbone interact. energy: -0.275 local terms energy: -283.090025 where: bonds (distance) C4'-P energy: -54.236 bonds (distance) P-C4' energy: -54.338 flat angles C4'-P-C4' energy: -57.331 flat angles P-C4'-P energy: -45.913 tors. eta vs tors. theta energy: -71.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -694.285336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.285336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.285336 (E_RNA) where: Base-Base interactions energy: -432.475 where: short stacking energy: -197.870 Base-Backbone interact. energy: 0.147 local terms energy: -261.957060 where: bonds (distance) C4'-P energy: -52.204 bonds (distance) P-C4' energy: -56.915 flat angles C4'-P-C4' energy: -65.431 flat angles P-C4'-P energy: -39.981 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: 10 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -626.087084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.087084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.087084 (E_RNA) where: Base-Base interactions energy: -398.307 where: short stacking energy: -181.111 Base-Backbone interact. energy: 0.999 local terms energy: -228.779002 where: bonds (distance) C4'-P energy: -46.773 bonds (distance) P-C4' energy: -51.148 flat angles C4'-P-C4' energy: -59.487 flat angles P-C4'-P energy: -37.413 tors. eta vs tors. theta energy: -33.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -574.297252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.297252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.297252 (E_RNA) where: Base-Base interactions energy: -339.900 where: short stacking energy: -162.710 Base-Backbone interact. energy: -0.778 local terms energy: -233.619297 where: bonds (distance) C4'-P energy: -46.604 bonds (distance) P-C4' energy: -65.971 flat angles C4'-P-C4' energy: -58.805 flat angles P-C4'-P energy: -34.700 tors. eta vs tors. theta energy: -27.539 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: 7 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -507.456411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.456411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.456411 (E_RNA) where: Base-Base interactions energy: -295.144 where: short stacking energy: -137.618 Base-Backbone interact. energy: -0.571 local terms energy: -211.741775 where: bonds (distance) C4'-P energy: -39.837 bonds (distance) P-C4' energy: -55.823 flat angles C4'-P-C4' energy: -65.488 flat angles P-C4'-P energy: -25.882 tors. eta vs tors. theta energy: -24.711 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: 2 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -1179.651550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.651550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.651550 (E_RNA) where: Base-Base interactions energy: -819.324 where: short stacking energy: -349.455 Base-Backbone interact. energy: -0.303 local terms energy: -360.024412 where: bonds (distance) C4'-P energy: -61.750 bonds (distance) P-C4' energy: -69.014 flat angles C4'-P-C4' energy: -68.200 flat angles P-C4'-P energy: -49.372 tors. eta vs tors. theta energy: -111.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -1088.696285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.696285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.696285 (E_RNA) where: Base-Base interactions energy: -776.745 where: short stacking energy: -318.866 Base-Backbone interact. energy: -1.140 local terms energy: -310.810969 where: bonds (distance) C4'-P energy: -56.949 bonds (distance) P-C4' energy: -58.352 flat angles C4'-P-C4' energy: -67.908 flat angles P-C4'-P energy: -34.425 tors. eta vs tors. theta energy: -93.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -1014.969018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.969018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.969018 (E_RNA) where: Base-Base interactions energy: -697.108 where: short stacking energy: -310.985 Base-Backbone interact. energy: -0.700 local terms energy: -317.161916 where: bonds (distance) C4'-P energy: -58.292 bonds (distance) P-C4' energy: -56.781 flat angles C4'-P-C4' energy: -57.508 flat angles P-C4'-P energy: -49.749 tors. eta vs tors. theta energy: -94.832 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: 3 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -957.104490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.104490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.104490 (E_RNA) where: Base-Base interactions energy: -641.628 where: short stacking energy: -261.696 Base-Backbone interact. energy: -4.066 local terms energy: -311.410649 where: bonds (distance) C4'-P energy: -61.030 bonds (distance) P-C4' energy: -56.234 flat angles C4'-P-C4' energy: -72.943 flat angles P-C4'-P energy: -49.642 tors. eta vs tors. theta energy: -71.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -904.392022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.392022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.392022 (E_RNA) where: Base-Base interactions energy: -589.546 where: short stacking energy: -272.848 Base-Backbone interact. energy: -0.953 local terms energy: -313.892906 where: bonds (distance) C4'-P energy: -66.885 bonds (distance) P-C4' energy: -66.529 flat angles C4'-P-C4' energy: -67.550 flat angles P-C4'-P energy: -36.989 tors. eta vs tors. theta energy: -75.940 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: 4 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -842.450625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.450625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.450625 (E_RNA) where: Base-Base interactions energy: -568.146 where: short stacking energy: -239.773 Base-Backbone interact. energy: -0.603 local terms energy: -273.702107 where: bonds (distance) C4'-P energy: -51.809 bonds (distance) P-C4' energy: -56.535 flat angles C4'-P-C4' energy: -65.468 flat angles P-C4'-P energy: -40.013 tors. eta vs tors. theta energy: -59.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -732.892879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.892879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.892879 (E_RNA) where: Base-Base interactions energy: -469.817 where: short stacking energy: -212.945 Base-Backbone interact. energy: -0.756 local terms energy: -262.320078 where: bonds (distance) C4'-P energy: -59.720 bonds (distance) P-C4' energy: -59.045 flat angles C4'-P-C4' energy: -59.510 flat angles P-C4'-P energy: -34.166 tors. eta vs tors. theta energy: -49.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -605.085119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.085119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.085119 (E_RNA) where: Base-Base interactions energy: -366.719 where: short stacking energy: -172.037 Base-Backbone interact. energy: -0.193 local terms energy: -238.173617 where: bonds (distance) C4'-P energy: -60.535 bonds (distance) P-C4' energy: -47.935 flat angles C4'-P-C4' energy: -44.002 flat angles P-C4'-P energy: -40.221 tors. eta vs tors. theta energy: -45.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -588.008738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.008738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.008738 (E_RNA) where: Base-Base interactions energy: -340.702 where: short stacking energy: -146.465 Base-Backbone interact. energy: -1.213 local terms energy: -246.093715 where: bonds (distance) C4'-P energy: -61.626 bonds (distance) P-C4' energy: -66.862 flat angles C4'-P-C4' energy: -57.750 flat angles P-C4'-P energy: -34.305 tors. eta vs tors. theta energy: -25.551 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: 7 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -493.358955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.358955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.358955 (E_RNA) where: Base-Base interactions energy: -292.763 where: short stacking energy: -145.455 Base-Backbone interact. energy: -3.695 local terms energy: -196.900832 where: bonds (distance) C4'-P energy: -45.003 bonds (distance) P-C4' energy: -54.174 flat angles C4'-P-C4' energy: -55.660 flat angles P-C4'-P energy: -21.212 tors. eta vs tors. theta energy: -20.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -1195.647179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.647179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.647179 (E_RNA) where: Base-Base interactions energy: -825.896 where: short stacking energy: -367.285 Base-Backbone interact. energy: -1.242 local terms energy: -368.509277 where: bonds (distance) C4'-P energy: -67.364 bonds (distance) P-C4' energy: -69.415 flat angles C4'-P-C4' energy: -73.311 flat angles P-C4'-P energy: -43.152 tors. eta vs tors. theta energy: -115.268 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: 8 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -1080.321444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.321444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.321444 (E_RNA) where: Base-Base interactions energy: -748.326 where: short stacking energy: -322.551 Base-Backbone interact. energy: 0.741 local terms energy: -332.735766 where: bonds (distance) C4'-P energy: -56.006 bonds (distance) P-C4' energy: -53.349 flat angles C4'-P-C4' energy: -74.668 flat angles P-C4'-P energy: -43.326 tors. eta vs tors. theta energy: -105.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -993.170673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.170673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.170673 (E_RNA) where: Base-Base interactions energy: -669.408 where: short stacking energy: -291.523 Base-Backbone interact. energy: -1.604 local terms energy: -322.158824 where: bonds (distance) C4'-P energy: -59.624 bonds (distance) P-C4' energy: -60.166 flat angles C4'-P-C4' energy: -73.808 flat angles P-C4'-P energy: -47.249 tors. eta vs tors. theta energy: -81.312 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: 3 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -986.081456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.081456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.081456 (E_RNA) where: Base-Base interactions energy: -662.896 where: short stacking energy: -279.354 Base-Backbone interact. energy: -0.885 local terms energy: -322.299818 where: bonds (distance) C4'-P energy: -64.950 bonds (distance) P-C4' energy: -55.609 flat angles C4'-P-C4' energy: -68.134 flat angles P-C4'-P energy: -51.915 tors. eta vs tors. theta energy: -81.691 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: 5 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -955.057090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.057090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.057090 (E_RNA) where: Base-Base interactions energy: -664.831 where: short stacking energy: -287.423 Base-Backbone interact. energy: 0.796 local terms energy: -291.021832 where: bonds (distance) C4'-P energy: -64.856 bonds (distance) P-C4' energy: -50.799 flat angles C4'-P-C4' energy: -60.175 flat angles P-C4'-P energy: -35.577 tors. eta vs tors. theta energy: -79.614 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: 4 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -855.564200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.564200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.564200 (E_RNA) where: Base-Base interactions energy: -573.592 where: short stacking energy: -245.783 Base-Backbone interact. energy: -0.283 local terms energy: -281.688994 where: bonds (distance) C4'-P energy: -55.349 bonds (distance) P-C4' energy: -64.659 flat angles C4'-P-C4' energy: -64.239 flat angles P-C4'-P energy: -26.893 tors. eta vs tors. theta energy: -70.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -720.227925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.227925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.227925 (E_RNA) where: Base-Base interactions energy: -468.727 where: short stacking energy: -214.593 Base-Backbone interact. energy: -0.896 local terms energy: -250.605301 where: bonds (distance) C4'-P energy: -43.534 bonds (distance) P-C4' energy: -61.711 flat angles C4'-P-C4' energy: -61.590 flat angles P-C4'-P energy: -32.818 tors. eta vs tors. theta energy: -50.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -592.055543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.055543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.055543 (E_RNA) where: Base-Base interactions energy: -341.189 where: short stacking energy: -158.680 Base-Backbone interact. energy: -1.002 local terms energy: -249.864748 where: bonds (distance) C4'-P energy: -55.443 bonds (distance) P-C4' energy: -52.527 flat angles C4'-P-C4' energy: -62.054 flat angles P-C4'-P energy: -35.894 tors. eta vs tors. theta energy: -43.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -562.807297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.807297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.807297 (E_RNA) where: Base-Base interactions energy: -358.028 where: short stacking energy: -183.749 Base-Backbone interact. energy: -1.308 local terms energy: -203.471173 where: bonds (distance) C4'-P energy: -47.825 bonds (distance) P-C4' energy: -46.434 flat angles C4'-P-C4' energy: -38.065 flat angles P-C4'-P energy: -27.666 tors. eta vs tors. theta energy: -43.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -520.062819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.062819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.062819 (E_RNA) where: Base-Base interactions energy: -326.908 where: short stacking energy: -140.574 Base-Backbone interact. energy: 1.084 local terms energy: -194.238583 where: bonds (distance) C4'-P energy: -45.818 bonds (distance) P-C4' energy: -47.386 flat angles C4'-P-C4' energy: -51.301 flat angles P-C4'-P energy: -33.507 tors. eta vs tors. theta energy: -16.227 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: 2 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -1188.490433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.490433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.490433 (E_RNA) where: Base-Base interactions energy: -826.192 where: short stacking energy: -365.550 Base-Backbone interact. energy: 0.043 local terms energy: -362.340772 where: bonds (distance) C4'-P energy: -56.631 bonds (distance) P-C4' energy: -66.618 flat angles C4'-P-C4' energy: -74.644 flat angles P-C4'-P energy: -50.962 tors. eta vs tors. theta energy: -113.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -1103.372476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.372476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.372476 (E_RNA) where: Base-Base interactions energy: -767.985 where: short stacking energy: -316.117 Base-Backbone interact. energy: -1.701 local terms energy: -333.686340 where: bonds (distance) C4'-P energy: -63.730 bonds (distance) P-C4' energy: -66.169 flat angles C4'-P-C4' energy: -63.582 flat angles P-C4'-P energy: -44.517 tors. eta vs tors. theta energy: -95.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -1021.585664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.585664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.585664 (E_RNA) where: Base-Base interactions energy: -711.764 where: short stacking energy: -314.044 Base-Backbone interact. energy: -1.911 local terms energy: -307.910532 where: bonds (distance) C4'-P energy: -35.691 bonds (distance) P-C4' energy: -66.449 flat angles C4'-P-C4' energy: -65.280 flat angles P-C4'-P energy: -45.228 tors. eta vs tors. theta energy: -95.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -979.187571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.187571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.187571 (E_RNA) where: Base-Base interactions energy: -676.035 where: short stacking energy: -287.192 Base-Backbone interact. energy: -0.827 local terms energy: -302.325996 where: bonds (distance) C4'-P energy: -65.349 bonds (distance) P-C4' energy: -59.004 flat angles C4'-P-C4' energy: -55.839 flat angles P-C4'-P energy: -39.757 tors. eta vs tors. theta energy: -82.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -985.330824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.330824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.330824 (E_RNA) where: Base-Base interactions energy: -680.809 where: short stacking energy: -307.881 Base-Backbone interact. energy: -1.055 local terms energy: -303.466879 where: bonds (distance) C4'-P energy: -51.422 bonds (distance) P-C4' energy: -53.478 flat angles C4'-P-C4' energy: -67.626 flat angles P-C4'-P energy: -49.078 tors. eta vs tors. theta energy: -81.863 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: 6, replica: 4 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -835.308296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.308296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.308296 (E_RNA) where: Base-Base interactions energy: -569.913 where: short stacking energy: -243.822 Base-Backbone interact. energy: -0.724 local terms energy: -264.671139 where: bonds (distance) C4'-P energy: -54.826 bonds (distance) P-C4' energy: -49.612 flat angles C4'-P-C4' energy: -61.347 flat angles P-C4'-P energy: -43.048 tors. eta vs tors. theta energy: -55.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -681.226731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.226731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.226731 (E_RNA) where: Base-Base interactions energy: -420.951 where: short stacking energy: -205.776 Base-Backbone interact. energy: -2.739 local terms energy: -257.537177 where: bonds (distance) C4'-P energy: -54.831 bonds (distance) P-C4' energy: -63.941 flat angles C4'-P-C4' energy: -58.304 flat angles P-C4'-P energy: -28.856 tors. eta vs tors. theta energy: -51.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -597.528236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.528236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.528236 (E_RNA) where: Base-Base interactions energy: -358.291 where: short stacking energy: -186.900 Base-Backbone interact. energy: -0.210 local terms energy: -239.027442 where: bonds (distance) C4'-P energy: -46.360 bonds (distance) P-C4' energy: -55.603 flat angles C4'-P-C4' energy: -58.761 flat angles P-C4'-P energy: -39.913 tors. eta vs tors. theta energy: -38.391 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: 9, replica: 10 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -566.989662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.989662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.989662 (E_RNA) where: Base-Base interactions energy: -350.745 where: short stacking energy: -163.893 Base-Backbone interact. energy: -1.461 local terms energy: -214.783423 where: bonds (distance) C4'-P energy: -29.666 bonds (distance) P-C4' energy: -54.568 flat angles C4'-P-C4' energy: -64.963 flat angles P-C4'-P energy: -43.862 tors. eta vs tors. theta energy: -21.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -488.960031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.960031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.960031 (E_RNA) where: Base-Base interactions energy: -278.790 where: short stacking energy: -139.950 Base-Backbone interact. energy: 0.727 local terms energy: -210.897207 where: bonds (distance) C4'-P energy: -43.518 bonds (distance) P-C4' energy: -59.172 flat angles C4'-P-C4' energy: -55.934 flat angles P-C4'-P energy: -29.417 tors. eta vs tors. theta energy: -22.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -1172.770344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.770344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.770344 (E_RNA) where: Base-Base interactions energy: -813.849 where: short stacking energy: -367.141 Base-Backbone interact. energy: -0.580 local terms energy: -358.340769 where: bonds (distance) C4'-P energy: -65.686 bonds (distance) P-C4' energy: -59.053 flat angles C4'-P-C4' energy: -74.326 flat angles P-C4'-P energy: -45.764 tors. eta vs tors. theta energy: -113.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -1119.025878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.025878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.025878 (E_RNA) where: Base-Base interactions energy: -780.208 where: short stacking energy: -344.579 Base-Backbone interact. energy: -0.460 local terms energy: -338.357879 where: bonds (distance) C4'-P energy: -64.934 bonds (distance) P-C4' energy: -59.481 flat angles C4'-P-C4' energy: -67.750 flat angles P-C4'-P energy: -49.195 tors. eta vs tors. theta energy: -96.998 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: 3, replica: 1 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -1021.980980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.980980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.980980 (E_RNA) where: Base-Base interactions energy: -685.615 where: short stacking energy: -313.078 Base-Backbone interact. energy: -1.578 local terms energy: -334.787549 where: bonds (distance) C4'-P energy: -63.618 bonds (distance) P-C4' energy: -51.871 flat angles C4'-P-C4' energy: -67.777 flat angles P-C4'-P energy: -48.152 tors. eta vs tors. theta energy: -103.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -991.207235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.207235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.207235 (E_RNA) where: Base-Base interactions energy: -668.554 where: short stacking energy: -297.407 Base-Backbone interact. energy: -2.401 local terms energy: -320.252261 where: bonds (distance) C4'-P energy: -51.572 bonds (distance) P-C4' energy: -58.246 flat angles C4'-P-C4' energy: -72.506 flat angles P-C4'-P energy: -51.507 tors. eta vs tors. theta energy: -86.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -992.082985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.082985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.082985 (E_RNA) where: Base-Base interactions energy: -694.382 where: short stacking energy: -286.802 Base-Backbone interact. energy: -1.427 local terms energy: -296.274020 where: bonds (distance) C4'-P energy: -63.972 bonds (distance) P-C4' energy: -53.650 flat angles C4'-P-C4' energy: -65.180 flat angles P-C4'-P energy: -32.816 tors. eta vs tors. theta energy: -80.656 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: 4 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -922.289824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.289824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.289824 (E_RNA) where: Base-Base interactions energy: -638.073 where: short stacking energy: -258.838 Base-Backbone interact. energy: 0.194 local terms energy: -284.410751 where: bonds (distance) C4'-P energy: -57.848 bonds (distance) P-C4' energy: -51.086 flat angles C4'-P-C4' energy: -53.479 flat angles P-C4'-P energy: -42.390 tors. eta vs tors. theta energy: -79.608 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: 9 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -655.178439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.178439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.178439 (E_RNA) where: Base-Base interactions energy: -400.840 where: short stacking energy: -205.199 Base-Backbone interact. energy: 0.440 local terms energy: -254.778533 where: bonds (distance) C4'-P energy: -60.349 bonds (distance) P-C4' energy: -45.518 flat angles C4'-P-C4' energy: -65.633 flat angles P-C4'-P energy: -43.054 tors. eta vs tors. theta energy: -40.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -544.798858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.798858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.798858 (E_RNA) where: Base-Base interactions energy: -308.034 where: short stacking energy: -152.293 Base-Backbone interact. energy: -1.018 local terms energy: -235.747145 where: bonds (distance) C4'-P energy: -58.182 bonds (distance) P-C4' energy: -59.818 flat angles C4'-P-C4' energy: -56.343 flat angles P-C4'-P energy: -31.349 tors. eta vs tors. theta energy: -30.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -504.901946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.901946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.901946 (E_RNA) where: Base-Base interactions energy: -285.853 where: short stacking energy: -159.430 Base-Backbone interact. energy: -1.188 local terms energy: -217.861141 where: bonds (distance) C4'-P energy: -55.506 bonds (distance) P-C4' energy: -51.565 flat angles C4'-P-C4' energy: -55.966 flat angles P-C4'-P energy: -18.740 tors. eta vs tors. theta energy: -36.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -547.507897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.507897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.507897 (E_RNA) where: Base-Base interactions energy: -335.423 where: short stacking energy: -169.698 Base-Backbone interact. energy: -0.370 local terms energy: -211.714410 where: bonds (distance) C4'-P energy: -38.977 bonds (distance) P-C4' energy: -55.804 flat angles C4'-P-C4' energy: -48.128 flat angles P-C4'-P energy: -39.656 tors. eta vs tors. theta energy: -29.150 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: 2 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -1182.176155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.176155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.176155 (E_RNA) where: Base-Base interactions energy: -802.560 where: short stacking energy: -339.004 Base-Backbone interact. energy: -0.573 local terms energy: -379.043563 where: bonds (distance) C4'-P energy: -68.127 bonds (distance) P-C4' energy: -75.981 flat angles C4'-P-C4' energy: -74.999 flat angles P-C4'-P energy: -54.527 tors. eta vs tors. theta energy: -105.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -1115.191080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.191080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.191080 (E_RNA) where: Base-Base interactions energy: -768.470 where: short stacking energy: -333.315 Base-Backbone interact. energy: -1.326 local terms energy: -345.395178 where: bonds (distance) C4'-P energy: -64.193 bonds (distance) P-C4' energy: -62.490 flat angles C4'-P-C4' energy: -59.228 flat angles P-C4'-P energy: -55.361 tors. eta vs tors. theta energy: -104.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -1013.595981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.595981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.595981 (E_RNA) where: Base-Base interactions energy: -670.940 where: short stacking energy: -288.965 Base-Backbone interact. energy: -2.947 local terms energy: -339.708937 where: bonds (distance) C4'-P energy: -67.429 bonds (distance) P-C4' energy: -65.604 flat angles C4'-P-C4' energy: -77.897 flat angles P-C4'-P energy: -42.197 tors. eta vs tors. theta energy: -86.581 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: 4, replica: 3 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -966.617518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.617518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.617518 (E_RNA) where: Base-Base interactions energy: -660.452 where: short stacking energy: -283.376 Base-Backbone interact. energy: -0.605 local terms energy: -305.560077 where: bonds (distance) C4'-P energy: -55.181 bonds (distance) P-C4' energy: -55.163 flat angles C4'-P-C4' energy: -67.580 flat angles P-C4'-P energy: -45.442 tors. eta vs tors. theta energy: -82.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -911.815735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.815735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.815735 (E_RNA) where: Base-Base interactions energy: -632.584 where: short stacking energy: -261.219 Base-Backbone interact. energy: -3.798 local terms energy: -275.433493 where: bonds (distance) C4'-P energy: -50.273 bonds (distance) P-C4' energy: -47.167 flat angles C4'-P-C4' energy: -67.085 flat angles P-C4'-P energy: -41.374 tors. eta vs tors. theta energy: -69.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -958.662148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.662148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.662148 (E_RNA) where: Base-Base interactions energy: -650.037 where: short stacking energy: -287.089 Base-Backbone interact. energy: -1.450 local terms energy: -307.175507 where: bonds (distance) C4'-P energy: -60.832 bonds (distance) P-C4' energy: -61.937 flat angles C4'-P-C4' energy: -72.624 flat angles P-C4'-P energy: -31.859 tors. eta vs tors. theta energy: -79.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -641.831351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.831351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.831351 (E_RNA) where: Base-Base interactions energy: -393.810 where: short stacking energy: -175.394 Base-Backbone interact. energy: 0.136 local terms energy: -248.157333 where: bonds (distance) C4'-P energy: -57.907 bonds (distance) P-C4' energy: -57.062 flat angles C4'-P-C4' energy: -58.397 flat angles P-C4'-P energy: -35.761 tors. eta vs tors. theta energy: -39.030 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: 8, replica: 6 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -566.167407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.167407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.167407 (E_RNA) where: Base-Base interactions energy: -339.244 where: short stacking energy: -186.695 Base-Backbone interact. energy: -1.002 local terms energy: -225.921371 where: bonds (distance) C4'-P energy: -52.689 bonds (distance) P-C4' energy: -48.830 flat angles C4'-P-C4' energy: -46.727 flat angles P-C4'-P energy: -29.182 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: 9, replica: 7 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -544.792554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.792554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.792554 (E_RNA) where: Base-Base interactions energy: -305.248 where: short stacking energy: -163.862 Base-Backbone interact. energy: -0.535 local terms energy: -239.009778 where: bonds (distance) C4'-P energy: -58.867 bonds (distance) P-C4' energy: -52.055 flat angles C4'-P-C4' energy: -52.734 flat angles P-C4'-P energy: -37.427 tors. eta vs tors. theta energy: -37.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -560.719734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.719734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.719734 (E_RNA) where: Base-Base interactions energy: -329.414 where: short stacking energy: -163.213 Base-Backbone interact. energy: -1.417 local terms energy: -229.888512 where: bonds (distance) C4'-P energy: -42.957 bonds (distance) P-C4' energy: -54.409 flat angles C4'-P-C4' energy: -62.969 flat angles P-C4'-P energy: -39.758 tors. eta vs tors. theta energy: -29.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -1185.658713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.658713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.658713 (E_RNA) where: Base-Base interactions energy: -813.083 where: short stacking energy: -344.449 Base-Backbone interact. energy: -0.864 local terms energy: -371.711774 where: bonds (distance) C4'-P energy: -62.125 bonds (distance) P-C4' energy: -64.576 flat angles C4'-P-C4' energy: -79.660 flat angles P-C4'-P energy: -53.270 tors. eta vs tors. theta energy: -112.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -1106.304471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.304471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.304471 (E_RNA) where: Base-Base interactions energy: -771.246 where: short stacking energy: -322.504 Base-Backbone interact. energy: -2.244 local terms energy: -332.814747 where: bonds (distance) C4'-P energy: -57.340 bonds (distance) P-C4' energy: -61.149 flat angles C4'-P-C4' energy: -74.534 flat angles P-C4'-P energy: -34.093 tors. eta vs tors. theta energy: -105.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -1053.064275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.064275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.064275 (E_RNA) where: Base-Base interactions energy: -716.208 where: short stacking energy: -322.507 Base-Backbone interact. energy: -0.797 local terms energy: -336.059227 where: bonds (distance) C4'-P energy: -61.100 bonds (distance) P-C4' energy: -66.869 flat angles C4'-P-C4' energy: -63.300 flat angles P-C4'-P energy: -45.975 tors. eta vs tors. theta energy: -98.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -1006.269900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.269900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.269900 (E_RNA) where: Base-Base interactions energy: -681.529 where: short stacking energy: -283.356 Base-Backbone interact. energy: 1.803 local terms energy: -326.543815 where: bonds (distance) C4'-P energy: -55.229 bonds (distance) P-C4' energy: -58.633 flat angles C4'-P-C4' energy: -71.646 flat angles P-C4'-P energy: -53.556 tors. eta vs tors. theta energy: -87.480 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: 4 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -1004.731275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.731275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.731275 (E_RNA) where: Base-Base interactions energy: -691.109 where: short stacking energy: -299.681 Base-Backbone interact. energy: -1.276 local terms energy: -312.346207 where: bonds (distance) C4'-P energy: -59.370 bonds (distance) P-C4' energy: -63.914 flat angles C4'-P-C4' energy: -65.361 flat angles P-C4'-P energy: -31.523 tors. eta vs tors. theta energy: -92.179 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: 6, replica: 5 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -876.712689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.712689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.712689 (E_RNA) where: Base-Base interactions energy: -605.374 where: short stacking energy: -254.040 Base-Backbone interact. energy: 0.546 local terms energy: -271.884491 where: bonds (distance) C4'-P energy: -53.473 bonds (distance) P-C4' energy: -58.279 flat angles C4'-P-C4' energy: -61.882 flat angles P-C4'-P energy: -26.921 tors. eta vs tors. theta energy: -71.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -629.335136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.335136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.335136 (E_RNA) where: Base-Base interactions energy: -397.024 where: short stacking energy: -191.894 Base-Backbone interact. energy: -0.533 local terms energy: -231.777990 where: bonds (distance) C4'-P energy: -59.367 bonds (distance) P-C4' energy: -46.068 flat angles C4'-P-C4' energy: -61.962 flat angles P-C4'-P energy: -27.876 tors. eta vs tors. theta energy: -36.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -585.208159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.208159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.208159 (E_RNA) where: Base-Base interactions energy: -346.404 where: short stacking energy: -181.124 Base-Backbone interact. energy: -0.707 local terms energy: -238.097671 where: bonds (distance) C4'-P energy: -56.989 bonds (distance) P-C4' energy: -47.251 flat angles C4'-P-C4' energy: -51.319 flat angles P-C4'-P energy: -37.935 tors. eta vs tors. theta energy: -44.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -581.106353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.106353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.106353 (E_RNA) where: Base-Base interactions energy: -342.018 where: short stacking energy: -147.345 Base-Backbone interact. energy: 0.561 local terms energy: -239.649694 where: bonds (distance) C4'-P energy: -56.196 bonds (distance) P-C4' energy: -62.235 flat angles C4'-P-C4' energy: -60.603 flat angles P-C4'-P energy: -29.493 tors. eta vs tors. theta energy: -31.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -491.027022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.027022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.027022 (E_RNA) where: Base-Base interactions energy: -266.963 where: short stacking energy: -147.000 Base-Backbone interact. energy: -0.408 local terms energy: -223.656088 where: bonds (distance) C4'-P energy: -47.773 bonds (distance) P-C4' energy: -64.164 flat angles C4'-P-C4' energy: -55.915 flat angles P-C4'-P energy: -35.268 tors. eta vs tors. theta energy: -20.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -1196.399965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.399965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.399965 (E_RNA) where: Base-Base interactions energy: -819.630 where: short stacking energy: -372.408 Base-Backbone interact. energy: -0.150 local terms energy: -376.620382 where: bonds (distance) C4'-P energy: -63.110 bonds (distance) P-C4' energy: -64.824 flat angles C4'-P-C4' energy: -75.792 flat angles P-C4'-P energy: -59.098 tors. eta vs tors. theta energy: -113.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -1104.658880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.658880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.658880 (E_RNA) where: Base-Base interactions energy: -769.323 where: short stacking energy: -315.898 Base-Backbone interact. energy: -1.459 local terms energy: -333.877366 where: bonds (distance) C4'-P energy: -61.331 bonds (distance) P-C4' energy: -63.453 flat angles C4'-P-C4' energy: -69.041 flat angles P-C4'-P energy: -45.278 tors. eta vs tors. theta energy: -94.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -1046.380262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.380262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.380262 (E_RNA) where: Base-Base interactions energy: -686.873 where: short stacking energy: -310.186 Base-Backbone interact. energy: -2.118 local terms energy: -357.389254 where: bonds (distance) C4'-P energy: -62.483 bonds (distance) P-C4' energy: -68.937 flat angles C4'-P-C4' energy: -73.449 flat angles P-C4'-P energy: -56.298 tors. eta vs tors. theta energy: -96.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -1059.297018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.297018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.297018 (E_RNA) where: Base-Base interactions energy: -751.488 where: short stacking energy: -295.374 Base-Backbone interact. energy: -0.421 local terms energy: -307.387549 where: bonds (distance) C4'-P energy: -61.349 bonds (distance) P-C4' energy: -49.839 flat angles C4'-P-C4' energy: -61.913 flat angles P-C4'-P energy: -43.554 tors. eta vs tors. theta energy: -90.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -986.689502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.689502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.689502 (E_RNA) where: Base-Base interactions energy: -665.289 where: short stacking energy: -305.174 Base-Backbone interact. energy: -0.674 local terms energy: -320.725904 where: bonds (distance) C4'-P energy: -59.149 bonds (distance) P-C4' energy: -58.546 flat angles C4'-P-C4' energy: -70.586 flat angles P-C4'-P energy: -43.266 tors. eta vs tors. theta energy: -89.179 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: 6, replica: 5 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -872.591159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.591159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.591159 (E_RNA) where: Base-Base interactions energy: -572.726 where: short stacking energy: -250.206 Base-Backbone interact. energy: -1.866 local terms energy: -297.998612 where: bonds (distance) C4'-P energy: -55.209 bonds (distance) P-C4' energy: -63.637 flat angles C4'-P-C4' energy: -65.044 flat angles P-C4'-P energy: -38.635 tors. eta vs tors. theta energy: -75.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -606.008156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.008156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.008156 (E_RNA) where: Base-Base interactions energy: -379.152 where: short stacking energy: -184.166 Base-Backbone interact. energy: -0.353 local terms energy: -226.502356 where: bonds (distance) C4'-P energy: -45.397 bonds (distance) P-C4' energy: -56.003 flat angles C4'-P-C4' energy: -55.152 flat angles P-C4'-P energy: -42.963 tors. eta vs tors. theta energy: -26.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -612.013407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.013407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.013407 (E_RNA) where: Base-Base interactions energy: -370.702 where: short stacking energy: -184.261 Base-Backbone interact. energy: -1.226 local terms energy: -240.084816 where: bonds (distance) C4'-P energy: -46.376 bonds (distance) P-C4' energy: -48.704 flat angles C4'-P-C4' energy: -62.739 flat angles P-C4'-P energy: -42.806 tors. eta vs tors. theta energy: -39.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -534.252959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.252959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.252959 (E_RNA) where: Base-Base interactions energy: -302.759 where: short stacking energy: -161.765 Base-Backbone interact. energy: 0.531 local terms energy: -232.024175 where: bonds (distance) C4'-P energy: -53.391 bonds (distance) P-C4' energy: -60.127 flat angles C4'-P-C4' energy: -45.216 flat angles P-C4'-P energy: -38.729 tors. eta vs tors. theta energy: -34.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -492.848012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.848012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.848012 (E_RNA) where: Base-Base interactions energy: -269.109 where: short stacking energy: -134.066 Base-Backbone interact. energy: -0.972 local terms energy: -222.767295 where: bonds (distance) C4'-P energy: -63.492 bonds (distance) P-C4' energy: -62.707 flat angles C4'-P-C4' energy: -54.178 flat angles P-C4'-P energy: -26.209 tors. eta vs tors. theta energy: -16.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -1183.752048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.752048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.752048 (E_RNA) where: Base-Base interactions energy: -807.537 where: short stacking energy: -354.487 Base-Backbone interact. energy: -0.133 local terms energy: -376.081800 where: bonds (distance) C4'-P energy: -66.656 bonds (distance) P-C4' energy: -70.454 flat angles C4'-P-C4' energy: -78.640 flat angles P-C4'-P energy: -52.173 tors. eta vs tors. theta energy: -108.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -1118.253689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.253689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.253689 (E_RNA) where: Base-Base interactions energy: -787.608 where: short stacking energy: -316.928 Base-Backbone interact. energy: -0.553 local terms energy: -330.092602 where: bonds (distance) C4'-P energy: -56.250 bonds (distance) P-C4' energy: -59.485 flat angles C4'-P-C4' energy: -70.678 flat angles P-C4'-P energy: -42.335 tors. eta vs tors. theta energy: -101.345 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: 392 Temperature: 1.000000 Total energy: -1055.890376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.890376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.890376 (E_RNA) where: Base-Base interactions energy: -729.317 where: short stacking energy: -305.488 Base-Backbone interact. energy: -2.218 local terms energy: -324.354730 where: bonds (distance) C4'-P energy: -67.401 bonds (distance) P-C4' energy: -51.231 flat angles C4'-P-C4' energy: -71.676 flat angles P-C4'-P energy: -44.462 tors. eta vs tors. theta energy: -89.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -1017.772608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.772608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.772608 (E_RNA) where: Base-Base interactions energy: -684.786 where: short stacking energy: -310.886 Base-Backbone interact. energy: -0.171 local terms energy: -332.815886 where: bonds (distance) C4'-P energy: -60.083 bonds (distance) P-C4' energy: -60.054 flat angles C4'-P-C4' energy: -73.319 flat angles P-C4'-P energy: -41.847 tors. eta vs tors. theta energy: -97.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -955.708194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.708194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.708194 (E_RNA) where: Base-Base interactions energy: -650.845 where: short stacking energy: -283.367 Base-Backbone interact. energy: -0.791 local terms energy: -304.071933 where: bonds (distance) C4'-P energy: -51.627 bonds (distance) P-C4' energy: -52.044 flat angles C4'-P-C4' energy: -67.250 flat angles P-C4'-P energy: -51.876 tors. eta vs tors. theta energy: -81.275 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: 5 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -844.400048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.400048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.400048 (E_RNA) where: Base-Base interactions energy: -551.756 where: short stacking energy: -263.140 Base-Backbone interact. energy: -0.369 local terms energy: -292.275809 where: bonds (distance) C4'-P energy: -53.034 bonds (distance) P-C4' energy: -54.328 flat angles C4'-P-C4' energy: -65.979 flat angles P-C4'-P energy: -40.311 tors. eta vs tors. theta energy: -78.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -590.308453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.308453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.308453 (E_RNA) where: Base-Base interactions energy: -353.118 where: short stacking energy: -166.852 Base-Backbone interact. energy: 0.956 local terms energy: -238.146645 where: bonds (distance) C4'-P energy: -47.683 bonds (distance) P-C4' energy: -64.447 flat angles C4'-P-C4' energy: -56.549 flat angles P-C4'-P energy: -35.113 tors. eta vs tors. theta energy: -34.354 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: 10 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -630.569858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.569858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.569858 (E_RNA) where: Base-Base interactions energy: -406.088 where: short stacking energy: -192.860 Base-Backbone interact. energy: -0.536 local terms energy: -223.945998 where: bonds (distance) C4'-P energy: -48.677 bonds (distance) P-C4' energy: -52.327 flat angles C4'-P-C4' energy: -54.099 flat angles P-C4'-P energy: -23.420 tors. eta vs tors. theta energy: -45.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -526.462031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.462031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.462031 (E_RNA) where: Base-Base interactions energy: -303.916 where: short stacking energy: -147.178 Base-Backbone interact. energy: -0.128 local terms energy: -222.418115 where: bonds (distance) C4'-P energy: -64.024 bonds (distance) P-C4' energy: -54.817 flat angles C4'-P-C4' energy: -48.832 flat angles P-C4'-P energy: -29.149 tors. eta vs tors. theta energy: -25.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -511.497021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.497021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.497021 (E_RNA) where: Base-Base interactions energy: -310.105 where: short stacking energy: -166.936 Base-Backbone interact. energy: 0.284 local terms energy: -201.676154 where: bonds (distance) C4'-P energy: -40.427 bonds (distance) P-C4' energy: -55.353 flat angles C4'-P-C4' energy: -39.618 flat angles P-C4'-P energy: -42.608 tors. eta vs tors. theta energy: -23.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -1182.191154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.191154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.191154 (E_RNA) where: Base-Base interactions energy: -804.189 where: short stacking energy: -360.995 Base-Backbone interact. energy: -0.769 local terms energy: -377.233252 where: bonds (distance) C4'-P energy: -73.151 bonds (distance) P-C4' energy: -61.504 flat angles C4'-P-C4' energy: -77.927 flat angles P-C4'-P energy: -53.882 tors. eta vs tors. theta energy: -110.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -1147.873482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.873482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.873482 (E_RNA) where: Base-Base interactions energy: -812.170 where: short stacking energy: -333.581 Base-Backbone interact. energy: -2.568 local terms energy: -333.134987 where: bonds (distance) C4'-P energy: -56.299 bonds (distance) P-C4' energy: -58.557 flat angles C4'-P-C4' energy: -74.915 flat angles P-C4'-P energy: -44.883 tors. eta vs tors. theta energy: -98.481 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: 4 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -1060.491725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.491725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.491725 (E_RNA) where: Base-Base interactions energy: -734.302 where: short stacking energy: -327.614 Base-Backbone interact. energy: -0.890 local terms energy: -325.300676 where: bonds (distance) C4'-P energy: -59.375 bonds (distance) P-C4' energy: -63.559 flat angles C4'-P-C4' energy: -69.943 flat angles P-C4'-P energy: -41.678 tors. eta vs tors. theta energy: -90.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -974.095179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.095179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.095179 (E_RNA) where: Base-Base interactions energy: -652.540 where: short stacking energy: -284.677 Base-Backbone interact. energy: 3.423 local terms energy: -324.977989 where: bonds (distance) C4'-P energy: -65.383 bonds (distance) P-C4' energy: -59.158 flat angles C4'-P-C4' energy: -68.016 flat angles P-C4'-P energy: -46.549 tors. eta vs tors. theta energy: -85.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -951.420250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.420250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.420250 (E_RNA) where: Base-Base interactions energy: -652.300 where: short stacking energy: -268.000 Base-Backbone interact. energy: -2.825 local terms energy: -296.294915 where: bonds (distance) C4'-P energy: -62.805 bonds (distance) P-C4' energy: -60.828 flat angles C4'-P-C4' energy: -68.371 flat angles P-C4'-P energy: -37.943 tors. eta vs tors. theta energy: -66.347 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: 5 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -840.122776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.122776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.122776 (E_RNA) where: Base-Base interactions energy: -561.233 where: short stacking energy: -247.756 Base-Backbone interact. energy: -1.370 local terms energy: -277.520316 where: bonds (distance) C4'-P energy: -54.447 bonds (distance) P-C4' energy: -59.906 flat angles C4'-P-C4' energy: -60.740 flat angles P-C4'-P energy: -43.772 tors. eta vs tors. theta energy: -58.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -658.162595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.162595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.162595 (E_RNA) where: Base-Base interactions energy: -393.830 where: short stacking energy: -194.860 Base-Backbone interact. energy: -2.707 local terms energy: -261.624715 where: bonds (distance) C4'-P energy: -56.405 bonds (distance) P-C4' energy: -61.704 flat angles C4'-P-C4' energy: -59.653 flat angles P-C4'-P energy: -39.296 tors. eta vs tors. theta energy: -44.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -559.281721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.281721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.281721 (E_RNA) where: Base-Base interactions energy: -330.948 where: short stacking energy: -183.822 Base-Backbone interact. energy: -0.419 local terms energy: -227.914378 where: bonds (distance) C4'-P energy: -49.151 bonds (distance) P-C4' energy: -61.113 flat angles C4'-P-C4' energy: -45.513 flat angles P-C4'-P energy: -41.068 tors. eta vs tors. theta energy: -31.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -587.399229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.399229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.399229 (E_RNA) where: Base-Base interactions energy: -359.583 where: short stacking energy: -153.335 Base-Backbone interact. energy: 5.505 local terms energy: -233.321218 where: bonds (distance) C4'-P energy: -52.067 bonds (distance) P-C4' energy: -56.113 flat angles C4'-P-C4' energy: -52.503 flat angles P-C4'-P energy: -37.984 tors. eta vs tors. theta energy: -34.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -507.187134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.187134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.187134 (E_RNA) where: Base-Base interactions energy: -317.359 where: short stacking energy: -146.607 Base-Backbone interact. energy: -0.072 local terms energy: -189.756392 where: bonds (distance) C4'-P energy: -28.459 bonds (distance) P-C4' energy: -59.388 flat angles C4'-P-C4' energy: -47.186 flat angles P-C4'-P energy: -34.587 tors. eta vs tors. theta energy: -20.136 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: 1, replica: 2 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -1191.768769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.768769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.768769 (E_RNA) where: Base-Base interactions energy: -835.501 where: short stacking energy: -363.329 Base-Backbone interact. energy: -1.531 local terms energy: -354.736969 where: bonds (distance) C4'-P energy: -56.898 bonds (distance) P-C4' energy: -67.997 flat angles C4'-P-C4' energy: -71.895 flat angles P-C4'-P energy: -46.418 tors. eta vs tors. theta energy: -111.529 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: 8 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -1117.683945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.683945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.683945 (E_RNA) where: Base-Base interactions energy: -790.598 where: short stacking energy: -321.749 Base-Backbone interact. energy: 1.472 local terms energy: -328.557509 where: bonds (distance) C4'-P energy: -63.299 bonds (distance) P-C4' energy: -55.896 flat angles C4'-P-C4' energy: -61.521 flat angles P-C4'-P energy: -53.291 tors. eta vs tors. theta energy: -94.551 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: 4 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -1047.932450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.932450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.932450 (E_RNA) where: Base-Base interactions energy: -717.565 where: short stacking energy: -295.524 Base-Backbone interact. energy: -1.298 local terms energy: -329.069864 where: bonds (distance) C4'-P energy: -63.493 bonds (distance) P-C4' energy: -75.325 flat angles C4'-P-C4' energy: -65.882 flat angles P-C4'-P energy: -37.274 tors. eta vs tors. theta energy: -87.096 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: 4, replica: 1 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -980.621285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.621285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.621285 (E_RNA) where: Base-Base interactions energy: -644.354 where: short stacking energy: -290.678 Base-Backbone interact. energy: -0.672 local terms energy: -335.595123 where: bonds (distance) C4'-P energy: -56.717 bonds (distance) P-C4' energy: -62.566 flat angles C4'-P-C4' energy: -68.767 flat angles P-C4'-P energy: -51.942 tors. eta vs tors. theta energy: -95.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -933.774972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.774972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.774972 (E_RNA) where: Base-Base interactions energy: -637.721 where: short stacking energy: -289.127 Base-Backbone interact. energy: -0.951 local terms energy: -295.103303 where: bonds (distance) C4'-P energy: -57.156 bonds (distance) P-C4' energy: -52.653 flat angles C4'-P-C4' energy: -69.890 flat angles P-C4'-P energy: -36.390 tors. eta vs tors. theta energy: -79.014 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: 5 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -823.380379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.380379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.380379 (E_RNA) where: Base-Base interactions energy: -552.952 where: short stacking energy: -242.253 Base-Backbone interact. energy: -2.680 local terms energy: -267.748501 where: bonds (distance) C4'-P energy: -53.721 bonds (distance) P-C4' energy: -57.248 flat angles C4'-P-C4' energy: -61.037 flat angles P-C4'-P energy: -42.900 tors. eta vs tors. theta energy: -52.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -640.403297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.403297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.403297 (E_RNA) where: Base-Base interactions energy: -388.025 where: short stacking energy: -175.174 Base-Backbone interact. energy: 0.191 local terms energy: -252.570016 where: bonds (distance) C4'-P energy: -58.505 bonds (distance) P-C4' energy: -56.198 flat angles C4'-P-C4' energy: -57.626 flat angles P-C4'-P energy: -35.541 tors. eta vs tors. theta energy: -44.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -559.081645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.081645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.081645 (E_RNA) where: Base-Base interactions energy: -343.336 where: short stacking energy: -154.417 Base-Backbone interact. energy: -1.093 local terms energy: -214.653073 where: bonds (distance) C4'-P energy: -49.750 bonds (distance) P-C4' energy: -60.518 flat angles C4'-P-C4' energy: -53.157 flat angles P-C4'-P energy: -26.146 tors. eta vs tors. theta energy: -25.081 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: 10 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -606.428336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.428336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.428336 (E_RNA) where: Base-Base interactions energy: -371.416 where: short stacking energy: -173.265 Base-Backbone interact. energy: -1.132 local terms energy: -233.880820 where: bonds (distance) C4'-P energy: -49.726 bonds (distance) P-C4' energy: -54.323 flat angles C4'-P-C4' energy: -56.746 flat angles P-C4'-P energy: -42.250 tors. eta vs tors. theta energy: -30.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -499.484979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.484979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.484979 (E_RNA) where: Base-Base interactions energy: -291.947 where: short stacking energy: -146.225 Base-Backbone interact. energy: -0.581 local terms energy: -206.956791 where: bonds (distance) C4'-P energy: -50.665 bonds (distance) P-C4' energy: -49.724 flat angles C4'-P-C4' energy: -53.913 flat angles P-C4'-P energy: -32.750 tors. eta vs tors. theta energy: -19.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -1194.931884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.931884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.931884 (E_RNA) where: Base-Base interactions energy: -830.170 where: short stacking energy: -367.956 Base-Backbone interact. energy: -1.636 local terms energy: -363.125708 where: bonds (distance) C4'-P energy: -65.222 bonds (distance) P-C4' energy: -70.056 flat angles C4'-P-C4' energy: -67.236 flat angles P-C4'-P energy: -46.501 tors. eta vs tors. theta energy: -114.110 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: 8 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -1111.747452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.747452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.747452 (E_RNA) where: Base-Base interactions energy: -780.555 where: short stacking energy: -329.099 Base-Backbone interact. energy: -1.285 local terms energy: -329.907762 where: bonds (distance) C4'-P energy: -62.210 bonds (distance) P-C4' energy: -64.322 flat angles C4'-P-C4' energy: -65.704 flat angles P-C4'-P energy: -46.838 tors. eta vs tors. theta energy: -90.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -1063.522413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.522413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.522413 (E_RNA) where: Base-Base interactions energy: -728.791 where: short stacking energy: -304.740 Base-Backbone interact. energy: -2.499 local terms energy: -332.232558 where: bonds (distance) C4'-P energy: -63.418 bonds (distance) P-C4' energy: -65.251 flat angles C4'-P-C4' energy: -71.090 flat angles P-C4'-P energy: -39.776 tors. eta vs tors. theta energy: -92.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -942.277285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.277285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.277285 (E_RNA) where: Base-Base interactions energy: -632.978 where: short stacking energy: -270.808 Base-Backbone interact. energy: 0.771 local terms energy: -310.069991 where: bonds (distance) C4'-P energy: -56.361 bonds (distance) P-C4' energy: -55.610 flat angles C4'-P-C4' energy: -71.922 flat angles P-C4'-P energy: -43.488 tors. eta vs tors. theta energy: -82.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -978.033892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.033892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.033892 (E_RNA) where: Base-Base interactions energy: -671.429 where: short stacking energy: -304.114 Base-Backbone interact. energy: -0.556 local terms energy: -306.048345 where: bonds (distance) C4'-P energy: -46.213 bonds (distance) P-C4' energy: -53.304 flat angles C4'-P-C4' energy: -72.526 flat angles P-C4'-P energy: -43.076 tors. eta vs tors. theta energy: -90.931 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: 5 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -824.194433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.194433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.194433 (E_RNA) where: Base-Base interactions energy: -544.090 where: short stacking energy: -256.850 Base-Backbone interact. energy: -1.622 local terms energy: -278.481884 where: bonds (distance) C4'-P energy: -51.401 bonds (distance) P-C4' energy: -63.591 flat angles C4'-P-C4' energy: -60.122 flat angles P-C4'-P energy: -38.108 tors. eta vs tors. theta energy: -65.261 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: 9 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -636.432454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.432454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.432454 (E_RNA) where: Base-Base interactions energy: -384.923 where: short stacking energy: -193.851 Base-Backbone interact. energy: -1.037 local terms energy: -250.472432 where: bonds (distance) C4'-P energy: -50.195 bonds (distance) P-C4' energy: -61.928 flat angles C4'-P-C4' energy: -59.508 flat angles P-C4'-P energy: -44.028 tors. eta vs tors. theta energy: -34.814 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: 8, replica: 10 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -594.057434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.057434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.057434 (E_RNA) where: Base-Base interactions energy: -378.066 where: short stacking energy: -175.188 Base-Backbone interact. energy: -0.176 local terms energy: -215.814831 where: bonds (distance) C4'-P energy: -50.101 bonds (distance) P-C4' energy: -51.349 flat angles C4'-P-C4' energy: -50.766 flat angles P-C4'-P energy: -41.258 tors. eta vs tors. theta energy: -22.342 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: 9, replica: 7 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -561.195343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.195343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.195343 (E_RNA) where: Base-Base interactions energy: -351.843 where: short stacking energy: -168.797 Base-Backbone interact. energy: -2.090 local terms energy: -207.262258 where: bonds (distance) C4'-P energy: -40.961 bonds (distance) P-C4' energy: -41.062 flat angles C4'-P-C4' energy: -54.517 flat angles P-C4'-P energy: -28.241 tors. eta vs tors. theta energy: -42.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -497.379023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.379023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.379023 (E_RNA) where: Base-Base interactions energy: -302.135 where: short stacking energy: -157.237 Base-Backbone interact. energy: 3.706 local terms energy: -198.950086 where: bonds (distance) C4'-P energy: -41.985 bonds (distance) P-C4' energy: -63.484 flat angles C4'-P-C4' energy: -50.078 flat angles P-C4'-P energy: -25.214 tors. eta vs tors. theta energy: -18.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -1174.076134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.076134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.076134 (E_RNA) where: Base-Base interactions energy: -809.266 where: short stacking energy: -361.305 Base-Backbone interact. energy: -1.317 local terms energy: -363.493464 where: bonds (distance) C4'-P energy: -62.298 bonds (distance) P-C4' energy: -62.351 flat angles C4'-P-C4' energy: -76.270 flat angles P-C4'-P energy: -51.087 tors. eta vs tors. theta energy: -111.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -1106.687581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.687581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.687581 (E_RNA) where: Base-Base interactions energy: -779.176 where: short stacking energy: -328.880 Base-Backbone interact. energy: -1.928 local terms energy: -325.583037 where: bonds (distance) C4'-P energy: -50.023 bonds (distance) P-C4' energy: -60.672 flat angles C4'-P-C4' energy: -71.824 flat angles P-C4'-P energy: -45.523 tors. eta vs tors. theta energy: -97.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -1058.045631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.045631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.045631 (E_RNA) where: Base-Base interactions energy: -723.275 where: short stacking energy: -303.385 Base-Backbone interact. energy: -1.590 local terms energy: -333.180416 where: bonds (distance) C4'-P energy: -56.406 bonds (distance) P-C4' energy: -64.310 flat angles C4'-P-C4' energy: -68.263 flat angles P-C4'-P energy: -46.294 tors. eta vs tors. theta energy: -97.908 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: 396 Temperature: 1.050000 Total energy: -980.452428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.452428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.452428 (E_RNA) where: Base-Base interactions energy: -651.794 where: short stacking energy: -284.208 Base-Backbone interact. energy: 0.578 local terms energy: -329.235877 where: bonds (distance) C4'-P energy: -60.259 bonds (distance) P-C4' energy: -66.640 flat angles C4'-P-C4' energy: -66.389 flat angles P-C4'-P energy: -48.989 tors. eta vs tors. theta energy: -86.958 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: 1 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -970.719592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.719592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.719592 (E_RNA) where: Base-Base interactions energy: -657.326 where: short stacking energy: -293.530 Base-Backbone interact. energy: -2.083 local terms energy: -311.310380 where: bonds (distance) C4'-P energy: -53.977 bonds (distance) P-C4' energy: -62.413 flat angles C4'-P-C4' energy: -66.398 flat angles P-C4'-P energy: -36.506 tors. eta vs tors. theta energy: -92.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -793.138826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.138826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.138826 (E_RNA) where: Base-Base interactions energy: -525.239 where: short stacking energy: -212.671 Base-Backbone interact. energy: 3.143 local terms energy: -271.042476 where: bonds (distance) C4'-P energy: -63.166 bonds (distance) P-C4' energy: -56.277 flat angles C4'-P-C4' energy: -60.835 flat angles P-C4'-P energy: -30.166 tors. eta vs tors. theta energy: -60.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -653.902859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.902859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.902859 (E_RNA) where: Base-Base interactions energy: -422.896 where: short stacking energy: -205.603 Base-Backbone interact. energy: 2.460 local terms energy: -233.467048 where: bonds (distance) C4'-P energy: -49.333 bonds (distance) P-C4' energy: -59.438 flat angles C4'-P-C4' energy: -49.263 flat angles P-C4'-P energy: -31.934 tors. eta vs tors. theta energy: -43.499 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: 10 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -605.698655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.698655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.698655 (E_RNA) where: Base-Base interactions energy: -382.099 where: short stacking energy: -173.217 Base-Backbone interact. energy: -1.738 local terms energy: -221.861154 where: bonds (distance) C4'-P energy: -43.938 bonds (distance) P-C4' energy: -52.985 flat angles C4'-P-C4' energy: -61.596 flat angles P-C4'-P energy: -38.952 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: 9, replica: 6 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -520.144404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.144404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.144404 (E_RNA) where: Base-Base interactions energy: -292.100 where: short stacking energy: -143.458 Base-Backbone interact. energy: 1.152 local terms energy: -229.195831 where: bonds (distance) C4'-P energy: -53.045 bonds (distance) P-C4' energy: -65.691 flat angles C4'-P-C4' energy: -50.240 flat angles P-C4'-P energy: -35.279 tors. eta vs tors. theta energy: -24.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -496.118196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.118196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.118196 (E_RNA) where: Base-Base interactions energy: -308.356 where: short stacking energy: -158.030 Base-Backbone interact. energy: 0.031 local terms energy: -187.793734 where: bonds (distance) C4'-P energy: -39.259 bonds (distance) P-C4' energy: -59.689 flat angles C4'-P-C4' energy: -38.299 flat angles P-C4'-P energy: -25.385 tors. eta vs tors. theta energy: -25.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -1194.404583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.404583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.404583 (E_RNA) where: Base-Base interactions energy: -821.681 where: short stacking energy: -363.407 Base-Backbone interact. energy: -1.291 local terms energy: -371.432818 where: bonds (distance) C4'-P energy: -63.176 bonds (distance) P-C4' energy: -72.849 flat angles C4'-P-C4' energy: -76.637 flat angles P-C4'-P energy: -50.543 tors. eta vs tors. theta energy: -108.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -1097.142768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.142768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.142768 (E_RNA) where: Base-Base interactions energy: -747.822 where: short stacking energy: -319.279 Base-Backbone interact. energy: -0.831 local terms energy: -348.488973 where: bonds (distance) C4'-P energy: -67.072 bonds (distance) P-C4' energy: -63.664 flat angles C4'-P-C4' energy: -73.304 flat angles P-C4'-P energy: -50.504 tors. eta vs tors. theta energy: -93.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -1044.533150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.533150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.533150 (E_RNA) where: Base-Base interactions energy: -712.630 where: short stacking energy: -299.225 Base-Backbone interact. energy: -2.619 local terms energy: -329.284111 where: bonds (distance) C4'-P energy: -72.433 bonds (distance) P-C4' energy: -53.149 flat angles C4'-P-C4' energy: -70.394 flat angles P-C4'-P energy: -43.081 tors. eta vs tors. theta energy: -90.227 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: 397 Temperature: 1.050000 Total energy: -977.827879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.827879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.827879 (E_RNA) where: Base-Base interactions energy: -648.965 where: short stacking energy: -269.481 Base-Backbone interact. energy: -1.767 local terms energy: -327.095197 where: bonds (distance) C4'-P energy: -61.107 bonds (distance) P-C4' energy: -63.563 flat angles C4'-P-C4' energy: -65.967 flat angles P-C4'-P energy: -52.607 tors. eta vs tors. theta energy: -83.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -952.822887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.822887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.822887 (E_RNA) where: Base-Base interactions energy: -654.433 where: short stacking energy: -289.474 Base-Backbone interact. energy: -0.809 local terms energy: -297.580915 where: bonds (distance) C4'-P energy: -56.556 bonds (distance) P-C4' energy: -53.045 flat angles C4'-P-C4' energy: -60.353 flat angles P-C4'-P energy: -40.301 tors. eta vs tors. theta energy: -87.326 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: 5 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -764.169452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.169452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.169452 (E_RNA) where: Base-Base interactions energy: -487.196 where: short stacking energy: -209.361 Base-Backbone interact. energy: -3.148 local terms energy: -273.825220 where: bonds (distance) C4'-P energy: -54.576 bonds (distance) P-C4' energy: -67.768 flat angles C4'-P-C4' energy: -59.195 flat angles P-C4'-P energy: -36.274 tors. eta vs tors. theta energy: -56.012 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: 9 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -642.786396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.786396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.786396 (E_RNA) where: Base-Base interactions energy: -401.217 where: short stacking energy: -191.215 Base-Backbone interact. energy: -0.169 local terms energy: -241.400068 where: bonds (distance) C4'-P energy: -52.583 bonds (distance) P-C4' energy: -63.008 flat angles C4'-P-C4' energy: -53.450 flat angles P-C4'-P energy: -40.663 tors. eta vs tors. theta energy: -31.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -651.020803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.020803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.020803 (E_RNA) where: Base-Base interactions energy: -402.874 where: short stacking energy: -189.019 Base-Backbone interact. energy: 2.348 local terms energy: -250.494668 where: bonds (distance) C4'-P energy: -52.082 bonds (distance) P-C4' energy: -56.236 flat angles C4'-P-C4' energy: -63.975 flat angles P-C4'-P energy: -36.954 tors. eta vs tors. theta energy: -41.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -517.571183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.571183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.571183 (E_RNA) where: Base-Base interactions energy: -302.114 where: short stacking energy: -145.651 Base-Backbone interact. energy: -0.642 local terms energy: -214.814823 where: bonds (distance) C4'-P energy: -58.996 bonds (distance) P-C4' energy: -61.869 flat angles C4'-P-C4' energy: -46.399 flat angles P-C4'-P energy: -29.244 tors. eta vs tors. theta energy: -18.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -472.334886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.334886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.334886 (E_RNA) where: Base-Base interactions energy: -285.893 where: short stacking energy: -140.260 Base-Backbone interact. energy: -0.781 local terms energy: -185.660175 where: bonds (distance) C4'-P energy: -51.876 bonds (distance) P-C4' energy: -54.997 flat angles C4'-P-C4' energy: -50.109 flat angles P-C4'-P energy: -22.063 tors. eta vs tors. theta energy: -6.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -1198.126655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.126655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.126655 (E_RNA) where: Base-Base interactions energy: -833.951 where: short stacking energy: -379.912 Base-Backbone interact. energy: 0.323 local terms energy: -364.498585 where: bonds (distance) C4'-P energy: -57.247 bonds (distance) P-C4' energy: -65.835 flat angles C4'-P-C4' energy: -71.961 flat angles P-C4'-P energy: -56.664 tors. eta vs tors. theta energy: -112.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -1101.269085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.269085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.269085 (E_RNA) where: Base-Base interactions energy: -754.522 where: short stacking energy: -317.299 Base-Backbone interact. energy: -1.543 local terms energy: -345.204029 where: bonds (distance) C4'-P energy: -64.419 bonds (distance) P-C4' energy: -63.434 flat angles C4'-P-C4' energy: -70.336 flat angles P-C4'-P energy: -46.425 tors. eta vs tors. theta energy: -100.590 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: 398 Temperature: 1.000000 Total energy: -1029.299413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.299413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.299413 (E_RNA) where: Base-Base interactions energy: -702.701 where: short stacking energy: -311.677 Base-Backbone interact. energy: -0.533 local terms energy: -326.066154 where: bonds (distance) C4'-P energy: -59.693 bonds (distance) P-C4' energy: -51.789 flat angles C4'-P-C4' energy: -71.794 flat angles P-C4'-P energy: -53.600 tors. eta vs tors. theta energy: -89.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -988.616473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.616473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.616473 (E_RNA) where: Base-Base interactions energy: -663.438 where: short stacking energy: -290.139 Base-Backbone interact. energy: -1.332 local terms energy: -323.846289 where: bonds (distance) C4'-P energy: -64.306 bonds (distance) P-C4' energy: -53.891 flat angles C4'-P-C4' energy: -70.823 flat angles P-C4'-P energy: -47.652 tors. eta vs tors. theta energy: -87.175 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: 1 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -949.504777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.504777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.504777 (E_RNA) where: Base-Base interactions energy: -647.280 where: short stacking energy: -283.424 Base-Backbone interact. energy: -1.349 local terms energy: -300.875549 where: bonds (distance) C4'-P energy: -58.156 bonds (distance) P-C4' energy: -57.562 flat angles C4'-P-C4' energy: -64.794 flat angles P-C4'-P energy: -37.054 tors. eta vs tors. theta energy: -83.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -752.860366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.860366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.860366 (E_RNA) where: Base-Base interactions energy: -485.511 where: short stacking energy: -223.808 Base-Backbone interact. energy: 0.324 local terms energy: -267.673355 where: bonds (distance) C4'-P energy: -60.731 bonds (distance) P-C4' energy: -52.862 flat angles C4'-P-C4' energy: -63.577 flat angles P-C4'-P energy: -38.602 tors. eta vs tors. theta energy: -51.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -710.176967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.176967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.176967 (E_RNA) where: Base-Base interactions energy: -449.814 where: short stacking energy: -201.635 Base-Backbone interact. energy: 0.653 local terms energy: -261.015990 where: bonds (distance) C4'-P energy: -48.823 bonds (distance) P-C4' energy: -65.192 flat angles C4'-P-C4' energy: -62.927 flat angles P-C4'-P energy: -47.343 tors. eta vs tors. theta energy: -36.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -633.326780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.326780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.326780 (E_RNA) where: Base-Base interactions energy: -397.120 where: short stacking energy: -195.736 Base-Backbone interact. energy: -1.125 local terms energy: -235.081942 where: bonds (distance) C4'-P energy: -43.338 bonds (distance) P-C4' energy: -48.183 flat angles C4'-P-C4' energy: -64.893 flat angles P-C4'-P energy: -35.897 tors. eta vs tors. theta energy: -42.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -519.791989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.791989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.791989 (E_RNA) where: Base-Base interactions energy: -303.432 where: short stacking energy: -142.277 Base-Backbone interact. energy: -0.288 local terms energy: -216.071748 where: bonds (distance) C4'-P energy: -53.114 bonds (distance) P-C4' energy: -54.622 flat angles C4'-P-C4' energy: -53.255 flat angles P-C4'-P energy: -28.623 tors. eta vs tors. theta energy: -26.458 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: 10, replica: 7 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -485.017673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.017673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.017673 (E_RNA) where: Base-Base interactions energy: -294.011 where: short stacking energy: -151.658 Base-Backbone interact. energy: -1.135 local terms energy: -189.871929 where: bonds (distance) C4'-P energy: -52.157 bonds (distance) P-C4' energy: -40.127 flat angles C4'-P-C4' energy: -44.920 flat angles P-C4'-P energy: -31.313 tors. eta vs tors. theta energy: -21.354 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: 2 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -1177.203533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.203533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.203533 (E_RNA) where: Base-Base interactions energy: -810.377 where: short stacking energy: -369.479 Base-Backbone interact. energy: -2.463 local terms energy: -364.363481 where: bonds (distance) C4'-P energy: -56.778 bonds (distance) P-C4' energy: -63.165 flat angles C4'-P-C4' energy: -74.041 flat angles P-C4'-P energy: -56.556 tors. eta vs tors. theta energy: -113.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -1110.632101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.632101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.632101 (E_RNA) where: Base-Base interactions energy: -772.876 where: short stacking energy: -307.116 Base-Backbone interact. energy: -0.067 local terms energy: -337.689139 where: bonds (distance) C4'-P energy: -62.184 bonds (distance) P-C4' energy: -61.525 flat angles C4'-P-C4' energy: -73.362 flat angles P-C4'-P energy: -49.940 tors. eta vs tors. theta energy: -90.678 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: 399 Temperature: 1.000000 Total energy: -1032.250242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.250242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.250242 (E_RNA) where: Base-Base interactions energy: -704.213 where: short stacking energy: -314.704 Base-Backbone interact. energy: -0.886 local terms energy: -327.150611 where: bonds (distance) C4'-P energy: -54.595 bonds (distance) P-C4' energy: -62.584 flat angles C4'-P-C4' energy: -71.534 flat angles P-C4'-P energy: -46.372 tors. eta vs tors. theta energy: -92.066 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: 3 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -996.915878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.915878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.915878 (E_RNA) where: Base-Base interactions energy: -682.313 where: short stacking energy: -284.781 Base-Backbone interact. energy: -1.879 local terms energy: -312.723935 where: bonds (distance) C4'-P energy: -53.588 bonds (distance) P-C4' energy: -60.695 flat angles C4'-P-C4' energy: -76.453 flat angles P-C4'-P energy: -39.821 tors. eta vs tors. theta energy: -82.168 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: 1 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -985.714987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.714987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.714987 (E_RNA) where: Base-Base interactions energy: -663.095 where: short stacking energy: -288.088 Base-Backbone interact. energy: -2.251 local terms energy: -320.369335 where: bonds (distance) C4'-P energy: -48.518 bonds (distance) P-C4' energy: -57.644 flat angles C4'-P-C4' energy: -68.763 flat angles P-C4'-P energy: -50.691 tors. eta vs tors. theta energy: -94.754 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: 399 Temperature: 1.150000 Total energy: -756.003566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.003566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.003566 (E_RNA) where: Base-Base interactions energy: -489.650 where: short stacking energy: -231.931 Base-Backbone interact. energy: -1.397 local terms energy: -264.956973 where: bonds (distance) C4'-P energy: -56.951 bonds (distance) P-C4' energy: -47.126 flat angles C4'-P-C4' energy: -62.735 flat angles P-C4'-P energy: -50.231 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: 7, replica: 5 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -732.868554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.868554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.868554 (E_RNA) where: Base-Base interactions energy: -480.023 where: short stacking energy: -216.313 Base-Backbone interact. energy: -0.369 local terms energy: -252.476437 where: bonds (distance) C4'-P energy: -57.388 bonds (distance) P-C4' energy: -45.382 flat angles C4'-P-C4' energy: -63.424 flat angles P-C4'-P energy: -32.895 tors. eta vs tors. theta energy: -53.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -607.387083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.387083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.387083 (E_RNA) where: Base-Base interactions energy: -372.763 where: short stacking energy: -175.404 Base-Backbone interact. energy: -0.942 local terms energy: -233.682182 where: bonds (distance) C4'-P energy: -55.328 bonds (distance) P-C4' energy: -60.689 flat angles C4'-P-C4' energy: -50.357 flat angles P-C4'-P energy: -36.599 tors. eta vs tors. theta energy: -30.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -514.151341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.151341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.151341 (E_RNA) where: Base-Base interactions energy: -299.332 where: short stacking energy: -160.308 Base-Backbone interact. energy: -2.339 local terms energy: -212.479945 where: bonds (distance) C4'-P energy: -51.467 bonds (distance) P-C4' energy: -50.112 flat angles C4'-P-C4' energy: -51.438 flat angles P-C4'-P energy: -29.982 tors. eta vs tors. theta energy: -29.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -493.713274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.713274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.713274 (E_RNA) where: Base-Base interactions energy: -290.076 where: short stacking energy: -139.823 Base-Backbone interact. energy: -1.443 local terms energy: -202.194174 where: bonds (distance) C4'-P energy: -62.520 bonds (distance) P-C4' energy: -45.952 flat angles C4'-P-C4' energy: -56.680 flat angles P-C4'-P energy: -21.898 tors. eta vs tors. theta energy: -15.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -1183.756719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.756719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.756719 (E_RNA) where: Base-Base interactions energy: -820.378 where: short stacking energy: -350.397 Base-Backbone interact. energy: -2.089 local terms energy: -361.289453 where: bonds (distance) C4'-P energy: -59.858 bonds (distance) P-C4' energy: -61.710 flat angles C4'-P-C4' energy: -74.886 flat angles P-C4'-P energy: -53.556 tors. eta vs tors. theta energy: -111.279 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: 8 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -1095.535974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.535974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.535974 (E_RNA) where: Base-Base interactions energy: -758.443 where: short stacking energy: -316.849 Base-Backbone interact. energy: -1.065 local terms energy: -336.028667 where: bonds (distance) C4'-P energy: -59.345 bonds (distance) P-C4' energy: -58.794 flat angles C4'-P-C4' energy: -73.702 flat angles P-C4'-P energy: -47.884 tors. eta vs tors. theta energy: -96.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -1038.303098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.303098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.303098 (E_RNA) where: Base-Base interactions energy: -706.862 where: short stacking energy: -306.211 Base-Backbone interact. energy: -1.132 local terms energy: -330.309098 where: bonds (distance) C4'-P energy: -54.795 bonds (distance) P-C4' energy: -58.722 flat angles C4'-P-C4' energy: -72.326 flat angles P-C4'-P energy: -51.727 tors. eta vs tors. theta energy: -92.738 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: 400 Temperature: 1.050000 Total energy: -1018.809701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.809701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.809701 (E_RNA) where: Base-Base interactions energy: -675.966 where: short stacking energy: -312.497 Base-Backbone interact. energy: -1.070 local terms energy: -341.774547 where: bonds (distance) C4'-P energy: -65.698 bonds (distance) P-C4' energy: -54.001 flat angles C4'-P-C4' energy: -71.968 flat angles P-C4'-P energy: -48.474 tors. eta vs tors. theta energy: -101.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -961.193903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.193903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.193903 (E_RNA) where: Base-Base interactions energy: -639.879 where: short stacking energy: -261.550 Base-Backbone interact. energy: -3.110 local terms energy: -318.205138 where: bonds (distance) C4'-P energy: -54.753 bonds (distance) P-C4' energy: -58.494 flat angles C4'-P-C4' energy: -72.054 flat angles P-C4'-P energy: -44.579 tors. eta vs tors. theta energy: -88.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -781.214010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.214010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.214010 (E_RNA) where: Base-Base interactions energy: -525.834 where: short stacking energy: -253.582 Base-Backbone interact. energy: 1.220 local terms energy: -256.600369 where: bonds (distance) C4'-P energy: -49.064 bonds (distance) P-C4' energy: -60.121 flat angles C4'-P-C4' energy: -66.355 flat angles P-C4'-P energy: -25.633 tors. eta vs tors. theta energy: -55.427 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: 7, replica: 5 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -750.037603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.037603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.037603 (E_RNA) where: Base-Base interactions energy: -499.374 where: short stacking energy: -216.632 Base-Backbone interact. energy: -0.554 local terms energy: -250.108878 where: bonds (distance) C4'-P energy: -54.549 bonds (distance) P-C4' energy: -48.514 flat angles C4'-P-C4' energy: -50.874 flat angles P-C4'-P energy: -38.108 tors. eta vs tors. theta energy: -58.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -621.150838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.150838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.150838 (E_RNA) where: Base-Base interactions energy: -380.404 where: short stacking energy: -178.103 Base-Backbone interact. energy: -0.219 local terms energy: -240.528709 where: bonds (distance) C4'-P energy: -53.728 bonds (distance) P-C4' energy: -50.884 flat angles C4'-P-C4' energy: -64.437 flat angles P-C4'-P energy: -42.200 tors. eta vs tors. theta energy: -29.280 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: 6 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -515.739750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.739750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.739750 (E_RNA) where: Base-Base interactions energy: -299.299 where: short stacking energy: -136.128 Base-Backbone interact. energy: -0.231 local terms energy: -216.210082 where: bonds (distance) C4'-P energy: -58.087 bonds (distance) P-C4' energy: -60.868 flat angles C4'-P-C4' energy: -56.586 flat angles P-C4'-P energy: -27.758 tors. eta vs tors. theta energy: -12.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -475.452068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.452068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.452068 (E_RNA) where: Base-Base interactions energy: -278.644 where: short stacking energy: -136.167 Base-Backbone interact. energy: 2.019 local terms energy: -198.826465 where: bonds (distance) C4'-P energy: -48.114 bonds (distance) P-C4' energy: -48.378 flat angles C4'-P-C4' energy: -44.559 flat angles P-C4'-P energy: -32.028 tors. eta vs tors. theta energy: -25.748 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: 2 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -1174.798457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.798457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.798457 (E_RNA) where: Base-Base interactions energy: -809.388 where: short stacking energy: -343.476 Base-Backbone interact. energy: -1.155 local terms energy: -364.255935 where: bonds (distance) C4'-P energy: -67.943 bonds (distance) P-C4' energy: -66.697 flat angles C4'-P-C4' energy: -73.611 flat angles P-C4'-P energy: -55.700 tors. eta vs tors. theta energy: -100.305 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: 8 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -1082.472904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.472904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.472904 (E_RNA) where: Base-Base interactions energy: -755.401 where: short stacking energy: -317.316 Base-Backbone interact. energy: -0.957 local terms energy: -326.114855 where: bonds (distance) C4'-P energy: -59.872 bonds (distance) P-C4' energy: -56.798 flat angles C4'-P-C4' energy: -68.117 flat angles P-C4'-P energy: -45.805 tors. eta vs tors. theta energy: -95.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -1074.522998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.522998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.522998 (E_RNA) where: Base-Base interactions energy: -743.923 where: short stacking energy: -329.935 Base-Backbone interact. energy: -1.106 local terms energy: -329.493871 where: bonds (distance) C4'-P energy: -58.801 bonds (distance) P-C4' energy: -72.934 flat angles C4'-P-C4' energy: -66.209 flat angles P-C4'-P energy: -35.896 tors. eta vs tors. theta energy: -95.655 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: 1 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -986.664374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.664374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.664374 (E_RNA) where: Base-Base interactions energy: -661.733 where: short stacking energy: -295.436 Base-Backbone interact. energy: 0.184 local terms energy: -325.115381 where: bonds (distance) C4'-P energy: -55.712 bonds (distance) P-C4' energy: -60.014 flat angles C4'-P-C4' energy: -62.488 flat angles P-C4'-P energy: -54.267 tors. eta vs tors. theta energy: -92.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -989.182619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.182619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.182619 (E_RNA) where: Base-Base interactions energy: -659.885 where: short stacking energy: -303.681 Base-Backbone interact. energy: -2.110 local terms energy: -327.187592 where: bonds (distance) C4'-P energy: -59.873 bonds (distance) P-C4' energy: -62.760 flat angles C4'-P-C4' energy: -66.439 flat angles P-C4'-P energy: -43.686 tors. eta vs tors. theta energy: -94.430 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: 5 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -800.512133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.512133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.512133 (E_RNA) where: Base-Base interactions energy: -526.544 where: short stacking energy: -247.681 Base-Backbone interact. energy: 3.119 local terms energy: -277.087149 where: bonds (distance) C4'-P energy: -55.801 bonds (distance) P-C4' energy: -60.383 flat angles C4'-P-C4' energy: -60.965 flat angles P-C4'-P energy: -40.457 tors. eta vs tors. theta energy: -59.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -721.214633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.214633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.214633 (E_RNA) where: Base-Base interactions energy: -459.211 where: short stacking energy: -209.832 Base-Backbone interact. energy: -1.263 local terms energy: -260.740822 where: bonds (distance) C4'-P energy: -61.217 bonds (distance) P-C4' energy: -58.564 flat angles C4'-P-C4' energy: -45.350 flat angles P-C4'-P energy: -41.674 tors. eta vs tors. theta energy: -53.936 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: 401 Temperature: 1.250000 Total energy: -615.921196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.921196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.921196 (E_RNA) where: Base-Base interactions energy: -384.323 where: short stacking energy: -178.824 Base-Backbone interact. energy: 0.988 local terms energy: -232.585487 where: bonds (distance) C4'-P energy: -59.254 bonds (distance) P-C4' energy: -43.215 flat angles C4'-P-C4' energy: -48.908 flat angles P-C4'-P energy: -34.463 tors. eta vs tors. theta energy: -46.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -533.335504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.335504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.335504 (E_RNA) where: Base-Base interactions energy: -308.689 where: short stacking energy: -159.812 Base-Backbone interact. energy: -2.051 local terms energy: -222.595510 where: bonds (distance) C4'-P energy: -57.909 bonds (distance) P-C4' energy: -59.192 flat angles C4'-P-C4' energy: -50.687 flat angles P-C4'-P energy: -31.116 tors. eta vs tors. theta energy: -23.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -487.909915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.909915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.909915 (E_RNA) where: Base-Base interactions energy: -263.404 where: short stacking energy: -127.905 Base-Backbone interact. energy: -1.115 local terms energy: -223.391724 where: bonds (distance) C4'-P energy: -53.216 bonds (distance) P-C4' energy: -66.528 flat angles C4'-P-C4' energy: -51.135 flat angles P-C4'-P energy: -33.074 tors. eta vs tors. theta energy: -19.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -1164.703933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.703933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.703933 (E_RNA) where: Base-Base interactions energy: -818.273 where: short stacking energy: -338.700 Base-Backbone interact. energy: -0.881 local terms energy: -345.549483 where: bonds (distance) C4'-P energy: -57.695 bonds (distance) P-C4' energy: -59.529 flat angles C4'-P-C4' energy: -79.203 flat angles P-C4'-P energy: -50.460 tors. eta vs tors. theta energy: -98.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -1114.451330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.451330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.451330 (E_RNA) where: Base-Base interactions energy: -758.488 where: short stacking energy: -342.849 Base-Backbone interact. energy: -1.574 local terms energy: -354.389205 where: bonds (distance) C4'-P energy: -66.497 bonds (distance) P-C4' energy: -65.344 flat angles C4'-P-C4' energy: -73.900 flat angles P-C4'-P energy: -43.232 tors. eta vs tors. theta energy: -105.415 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: 4 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -1046.467298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.467298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.467298 (E_RNA) where: Base-Base interactions energy: -708.727 where: short stacking energy: -301.361 Base-Backbone interact. energy: -1.198 local terms energy: -336.541772 where: bonds (distance) C4'-P energy: -51.196 bonds (distance) P-C4' energy: -64.787 flat angles C4'-P-C4' energy: -66.304 flat angles P-C4'-P energy: -52.570 tors. eta vs tors. theta energy: -101.685 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: 1 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -1003.481916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.481916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.481916 (E_RNA) where: Base-Base interactions energy: -678.324 where: short stacking energy: -311.053 Base-Backbone interact. energy: 1.026 local terms energy: -326.183829 where: bonds (distance) C4'-P energy: -57.474 bonds (distance) P-C4' energy: -57.762 flat angles C4'-P-C4' energy: -66.560 flat angles P-C4'-P energy: -49.771 tors. eta vs tors. theta energy: -94.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -961.192983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.192983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.192983 (E_RNA) where: Base-Base interactions energy: -647.532 where: short stacking energy: -280.401 Base-Backbone interact. energy: -0.611 local terms energy: -313.049877 where: bonds (distance) C4'-P energy: -58.487 bonds (distance) P-C4' energy: -60.749 flat angles C4'-P-C4' energy: -66.668 flat angles P-C4'-P energy: -46.981 tors. eta vs tors. theta energy: -80.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -785.472184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.472184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.472184 (E_RNA) where: Base-Base interactions energy: -510.919 where: short stacking energy: -231.418 Base-Backbone interact. energy: -2.401 local terms energy: -272.152626 where: bonds (distance) C4'-P energy: -58.159 bonds (distance) P-C4' energy: -61.851 flat angles C4'-P-C4' energy: -53.952 flat angles P-C4'-P energy: -43.287 tors. eta vs tors. theta energy: -54.904 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: 7, replica: 9 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -660.842038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.842038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.842038 (E_RNA) where: Base-Base interactions energy: -415.116 where: short stacking energy: -209.066 Base-Backbone interact. energy: 0.157 local terms energy: -245.883528 where: bonds (distance) C4'-P energy: -51.869 bonds (distance) P-C4' energy: -52.729 flat angles C4'-P-C4' energy: -59.431 flat angles P-C4'-P energy: -30.815 tors. eta vs tors. theta energy: -51.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -702.752189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.752189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.752189 (E_RNA) where: Base-Base interactions energy: -444.687 where: short stacking energy: -187.776 Base-Backbone interact. energy: -0.715 local terms energy: -257.349671 where: bonds (distance) C4'-P energy: -53.164 bonds (distance) P-C4' energy: -52.403 flat angles C4'-P-C4' energy: -66.820 flat angles P-C4'-P energy: -36.951 tors. eta vs tors. theta energy: -48.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -547.718936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.718936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.718936 (E_RNA) where: Base-Base interactions energy: -333.050 where: short stacking energy: -179.279 Base-Backbone interact. energy: 2.854 local terms energy: -217.523274 where: bonds (distance) C4'-P energy: -56.524 bonds (distance) P-C4' energy: -43.238 flat angles C4'-P-C4' energy: -56.361 flat angles P-C4'-P energy: -26.887 tors. eta vs tors. theta energy: -34.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -481.429239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.429239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.429239 (E_RNA) where: Base-Base interactions energy: -277.761 where: short stacking energy: -142.631 Base-Backbone interact. energy: -3.654 local terms energy: -200.014460 where: bonds (distance) C4'-P energy: -50.702 bonds (distance) P-C4' energy: -52.454 flat angles C4'-P-C4' energy: -51.218 flat angles P-C4'-P energy: -35.347 tors. eta vs tors. theta energy: -10.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -1185.795678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.795678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.795678 (E_RNA) where: Base-Base interactions energy: -823.896 where: short stacking energy: -349.597 Base-Backbone interact. energy: -0.355 local terms energy: -361.544504 where: bonds (distance) C4'-P energy: -59.273 bonds (distance) P-C4' energy: -68.516 flat angles C4'-P-C4' energy: -72.081 flat angles P-C4'-P energy: -51.058 tors. eta vs tors. theta energy: -110.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -1113.971242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.971242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.971242 (E_RNA) where: Base-Base interactions energy: -793.411 where: short stacking energy: -328.289 Base-Backbone interact. energy: -2.250 local terms energy: -318.310544 where: bonds (distance) C4'-P energy: -45.269 bonds (distance) P-C4' energy: -56.755 flat angles C4'-P-C4' energy: -78.247 flat angles P-C4'-P energy: -46.121 tors. eta vs tors. theta energy: -91.919 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: 403 Temperature: 1.000000 Total energy: -1045.829748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.829748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.829748 (E_RNA) where: Base-Base interactions energy: -715.512 where: short stacking energy: -316.446 Base-Backbone interact. energy: -1.378 local terms energy: -328.939456 where: bonds (distance) C4'-P energy: -56.900 bonds (distance) P-C4' energy: -63.128 flat angles C4'-P-C4' energy: -67.024 flat angles P-C4'-P energy: -48.082 tors. eta vs tors. theta energy: -93.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -988.994347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.994347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.994347 (E_RNA) where: Base-Base interactions energy: -675.581 where: short stacking energy: -283.947 Base-Backbone interact. energy: -1.856 local terms energy: -311.556887 where: bonds (distance) C4'-P energy: -44.833 bonds (distance) P-C4' energy: -62.049 flat angles C4'-P-C4' energy: -67.616 flat angles P-C4'-P energy: -46.578 tors. eta vs tors. theta energy: -90.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -968.377326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.377326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.377326 (E_RNA) where: Base-Base interactions energy: -675.847 where: short stacking energy: -282.263 Base-Backbone interact. energy: 0.458 local terms energy: -292.988409 where: bonds (distance) C4'-P energy: -57.490 bonds (distance) P-C4' energy: -59.840 flat angles C4'-P-C4' energy: -61.690 flat angles P-C4'-P energy: -33.747 tors. eta vs tors. theta energy: -80.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -809.103024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.103024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.103024 (E_RNA) where: Base-Base interactions energy: -540.627 where: short stacking energy: -235.674 Base-Backbone interact. energy: -2.959 local terms energy: -265.517228 where: bonds (distance) C4'-P energy: -43.992 bonds (distance) P-C4' energy: -57.875 flat angles C4'-P-C4' energy: -64.964 flat angles P-C4'-P energy: -36.026 tors. eta vs tors. theta energy: -62.659 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: 9 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -658.873030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.873030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.873030 (E_RNA) where: Base-Base interactions energy: -417.025 where: short stacking energy: -193.481 Base-Backbone interact. energy: -1.610 local terms energy: -240.237801 where: bonds (distance) C4'-P energy: -42.665 bonds (distance) P-C4' energy: -61.405 flat angles C4'-P-C4' energy: -61.850 flat angles P-C4'-P energy: -33.410 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: 8, replica: 10 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -683.461173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.461173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.461173 (E_RNA) where: Base-Base interactions energy: -423.062 where: short stacking energy: -197.642 Base-Backbone interact. energy: -2.986 local terms energy: -257.412604 where: bonds (distance) C4'-P energy: -58.551 bonds (distance) P-C4' energy: -64.151 flat angles C4'-P-C4' energy: -55.676 flat angles P-C4'-P energy: -38.703 tors. eta vs tors. theta energy: -40.331 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: 6 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -563.759129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.759129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.759129 (E_RNA) where: Base-Base interactions energy: -347.761 where: short stacking energy: -181.943 Base-Backbone interact. energy: -1.714 local terms energy: -214.283532 where: bonds (distance) C4'-P energy: -63.342 bonds (distance) P-C4' energy: -27.723 flat angles C4'-P-C4' energy: -51.990 flat angles P-C4'-P energy: -35.939 tors. eta vs tors. theta energy: -35.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -514.123922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.123922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.123922 (E_RNA) where: Base-Base interactions energy: -310.637 where: short stacking energy: -172.245 Base-Backbone interact. energy: -2.544 local terms energy: -200.943691 where: bonds (distance) C4'-P energy: -41.971 bonds (distance) P-C4' energy: -59.931 flat angles C4'-P-C4' energy: -41.793 flat angles P-C4'-P energy: -30.798 tors. eta vs tors. theta energy: -26.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -1186.930801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.930801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.930801 (E_RNA) where: Base-Base interactions energy: -818.536 where: short stacking energy: -362.912 Base-Backbone interact. energy: -0.198 local terms energy: -368.197202 where: bonds (distance) C4'-P energy: -58.016 bonds (distance) P-C4' energy: -67.906 flat angles C4'-P-C4' energy: -74.753 flat angles P-C4'-P energy: -52.255 tors. eta vs tors. theta energy: -115.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -1115.151883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.151883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.151883 (E_RNA) where: Base-Base interactions energy: -762.406 where: short stacking energy: -328.919 Base-Backbone interact. energy: -0.760 local terms energy: -351.985241 where: bonds (distance) C4'-P energy: -65.905 bonds (distance) P-C4' energy: -61.929 flat angles C4'-P-C4' energy: -71.256 flat angles P-C4'-P energy: -51.414 tors. eta vs tors. theta energy: -101.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -1028.017634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.017634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.017634 (E_RNA) where: Base-Base interactions energy: -698.998 where: short stacking energy: -300.436 Base-Backbone interact. energy: -0.372 local terms energy: -328.648286 where: bonds (distance) C4'-P energy: -59.431 bonds (distance) P-C4' energy: -63.433 flat angles C4'-P-C4' energy: -63.990 flat angles P-C4'-P energy: -50.367 tors. eta vs tors. theta energy: -91.427 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: 4 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -1032.741114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.741114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.741114 (E_RNA) where: Base-Base interactions energy: -703.832 where: short stacking energy: -299.666 Base-Backbone interact. energy: -1.187 local terms energy: -327.722807 where: bonds (distance) C4'-P energy: -52.049 bonds (distance) P-C4' energy: -68.893 flat angles C4'-P-C4' energy: -75.409 flat angles P-C4'-P energy: -36.730 tors. eta vs tors. theta energy: -94.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -952.488993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.488993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.488993 (E_RNA) where: Base-Base interactions energy: -646.436 where: short stacking energy: -271.115 Base-Backbone interact. energy: 1.919 local terms energy: -307.971928 where: bonds (distance) C4'-P energy: -62.420 bonds (distance) P-C4' energy: -51.933 flat angles C4'-P-C4' energy: -69.771 flat angles P-C4'-P energy: -49.132 tors. eta vs tors. theta energy: -74.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -801.901483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.901483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.901483 (E_RNA) where: Base-Base interactions energy: -531.623 where: short stacking energy: -243.561 Base-Backbone interact. energy: -0.975 local terms energy: -269.303431 where: bonds (distance) C4'-P energy: -55.165 bonds (distance) P-C4' energy: -60.912 flat angles C4'-P-C4' energy: -53.988 flat angles P-C4'-P energy: -37.626 tors. eta vs tors. theta energy: -61.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -720.915690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.915690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.915690 (E_RNA) where: Base-Base interactions energy: -472.288 where: short stacking energy: -212.397 Base-Backbone interact. energy: 1.751 local terms energy: -250.379245 where: bonds (distance) C4'-P energy: -55.858 bonds (distance) P-C4' energy: -54.812 flat angles C4'-P-C4' energy: -62.393 flat angles P-C4'-P energy: -40.919 tors. eta vs tors. theta energy: -36.398 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: 9 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -670.174060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.174060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.174060 (E_RNA) where: Base-Base interactions energy: -418.429 where: short stacking energy: -195.954 Base-Backbone interact. energy: -1.285 local terms energy: -250.459961 where: bonds (distance) C4'-P energy: -55.940 bonds (distance) P-C4' energy: -52.608 flat angles C4'-P-C4' energy: -68.300 flat angles P-C4'-P energy: -30.387 tors. eta vs tors. theta energy: -43.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -543.457220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.457220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.457220 (E_RNA) where: Base-Base interactions energy: -308.429 where: short stacking energy: -147.457 Base-Backbone interact. energy: -3.031 local terms energy: -231.996571 where: bonds (distance) C4'-P energy: -49.952 bonds (distance) P-C4' energy: -57.153 flat angles C4'-P-C4' energy: -56.531 flat angles P-C4'-P energy: -37.298 tors. eta vs tors. theta energy: -31.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -512.229221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.229221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.229221 (E_RNA) where: Base-Base interactions energy: -293.352 where: short stacking energy: -149.299 Base-Backbone interact. energy: -1.216 local terms energy: -217.661111 where: bonds (distance) C4'-P energy: -56.527 bonds (distance) P-C4' energy: -40.063 flat angles C4'-P-C4' energy: -49.607 flat angles P-C4'-P energy: -33.575 tors. eta vs tors. theta energy: -37.889 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: 1, replica: 2 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -1180.536443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.536443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.536443 (E_RNA) where: Base-Base interactions energy: -821.277 where: short stacking energy: -350.406 Base-Backbone interact. energy: -1.545 local terms energy: -357.715100 where: bonds (distance) C4'-P energy: -62.804 bonds (distance) P-C4' energy: -67.657 flat angles C4'-P-C4' energy: -66.451 flat angles P-C4'-P energy: -53.792 tors. eta vs tors. theta energy: -107.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -1132.957548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.957548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.957548 (E_RNA) where: Base-Base interactions energy: -780.691 where: short stacking energy: -332.935 Base-Backbone interact. energy: -0.835 local terms energy: -351.431376 where: bonds (distance) C4'-P energy: -66.881 bonds (distance) P-C4' energy: -67.641 flat angles C4'-P-C4' energy: -72.650 flat angles P-C4'-P energy: -43.731 tors. eta vs tors. theta energy: -100.529 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: 1 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -1021.827687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.827687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.827687 (E_RNA) where: Base-Base interactions energy: -690.957 where: short stacking energy: -302.613 Base-Backbone interact. energy: -1.996 local terms energy: -328.874496 where: bonds (distance) C4'-P energy: -71.950 bonds (distance) P-C4' energy: -59.453 flat angles C4'-P-C4' energy: -62.087 flat angles P-C4'-P energy: -50.353 tors. eta vs tors. theta energy: -85.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -1029.234679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.234679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.234679 (E_RNA) where: Base-Base interactions energy: -697.938 where: short stacking energy: -306.610 Base-Backbone interact. energy: -1.295 local terms energy: -330.002036 where: bonds (distance) C4'-P energy: -54.034 bonds (distance) P-C4' energy: -61.818 flat angles C4'-P-C4' energy: -71.068 flat angles P-C4'-P energy: -49.234 tors. eta vs tors. theta energy: -93.847 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: 3 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -965.154556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.154556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.154556 (E_RNA) where: Base-Base interactions energy: -659.807 where: short stacking energy: -273.664 Base-Backbone interact. energy: -1.906 local terms energy: -303.442366 where: bonds (distance) C4'-P energy: -60.283 bonds (distance) P-C4' energy: -50.083 flat angles C4'-P-C4' energy: -60.858 flat angles P-C4'-P energy: -47.425 tors. eta vs tors. theta energy: -84.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -807.523248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.523248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.523248 (E_RNA) where: Base-Base interactions energy: -520.840 where: short stacking energy: -245.787 Base-Backbone interact. energy: -1.494 local terms energy: -285.188760 where: bonds (distance) C4'-P energy: -59.009 bonds (distance) P-C4' energy: -57.751 flat angles C4'-P-C4' energy: -70.041 flat angles P-C4'-P energy: -34.771 tors. eta vs tors. theta energy: -63.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -694.661430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.661430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.661430 (E_RNA) where: Base-Base interactions energy: -439.852 where: short stacking energy: -194.300 Base-Backbone interact. energy: -1.706 local terms energy: -253.103471 where: bonds (distance) C4'-P energy: -50.795 bonds (distance) P-C4' energy: -50.343 flat angles C4'-P-C4' energy: -64.085 flat angles P-C4'-P energy: -33.775 tors. eta vs tors. theta energy: -54.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -687.417611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.417611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.417611 (E_RNA) where: Base-Base interactions energy: -423.492 where: short stacking energy: -203.517 Base-Backbone interact. energy: 0.178 local terms energy: -264.103387 where: bonds (distance) C4'-P energy: -54.675 bonds (distance) P-C4' energy: -63.124 flat angles C4'-P-C4' energy: -62.263 flat angles P-C4'-P energy: -41.736 tors. eta vs tors. theta energy: -42.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -536.275026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.275026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.275026 (E_RNA) where: Base-Base interactions energy: -312.718 where: short stacking energy: -147.517 Base-Backbone interact. energy: -2.274 local terms energy: -221.282988 where: bonds (distance) C4'-P energy: -56.264 bonds (distance) P-C4' energy: -53.715 flat angles C4'-P-C4' energy: -47.714 flat angles P-C4'-P energy: -36.625 tors. eta vs tors. theta energy: -26.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -542.481772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.481772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.481772 (E_RNA) where: Base-Base interactions energy: -307.303 where: short stacking energy: -151.860 Base-Backbone interact. energy: -0.400 local terms energy: -234.778914 where: bonds (distance) C4'-P energy: -53.187 bonds (distance) P-C4' energy: -57.662 flat angles C4'-P-C4' energy: -53.334 flat angles P-C4'-P energy: -30.569 tors. eta vs tors. theta energy: -40.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -1140.771606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.771606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.771606 (E_RNA) where: Base-Base interactions energy: -790.837 where: short stacking energy: -334.791 Base-Backbone interact. energy: -1.791 local terms energy: -348.144004 where: bonds (distance) C4'-P energy: -58.068 bonds (distance) P-C4' energy: -66.907 flat angles C4'-P-C4' energy: -73.092 flat angles P-C4'-P energy: -44.198 tors. eta vs tors. theta energy: -105.878 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: 2 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -1164.170436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.170436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.170436 (E_RNA) where: Base-Base interactions energy: -800.951 where: short stacking energy: -352.489 Base-Backbone interact. energy: -0.611 local terms energy: -362.608228 where: bonds (distance) C4'-P energy: -66.486 bonds (distance) P-C4' energy: -61.544 flat angles C4'-P-C4' energy: -78.574 flat angles P-C4'-P energy: -47.763 tors. eta vs tors. theta energy: -108.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -1022.495764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.495764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.495764 (E_RNA) where: Base-Base interactions energy: -690.594 where: short stacking energy: -294.015 Base-Backbone interact. energy: -1.212 local terms energy: -330.690218 where: bonds (distance) C4'-P energy: -63.259 bonds (distance) P-C4' energy: -53.490 flat angles C4'-P-C4' energy: -64.602 flat angles P-C4'-P energy: -51.238 tors. eta vs tors. theta energy: -98.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -1004.483517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.483517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.483517 (E_RNA) where: Base-Base interactions energy: -683.425 where: short stacking energy: -292.343 Base-Backbone interact. energy: -0.307 local terms energy: -320.751596 where: bonds (distance) C4'-P energy: -58.031 bonds (distance) P-C4' energy: -62.042 flat angles C4'-P-C4' energy: -74.504 flat angles P-C4'-P energy: -41.694 tors. eta vs tors. theta energy: -84.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -950.088714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.088714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.088714 (E_RNA) where: Base-Base interactions energy: -642.160 where: short stacking energy: -270.841 Base-Backbone interact. energy: -1.991 local terms energy: -305.937143 where: bonds (distance) C4'-P energy: -52.818 bonds (distance) P-C4' energy: -51.779 flat angles C4'-P-C4' energy: -69.556 flat angles P-C4'-P energy: -46.660 tors. eta vs tors. theta energy: -85.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -795.632764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.632764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.632764 (E_RNA) where: Base-Base interactions energy: -526.278 where: short stacking energy: -246.487 Base-Backbone interact. energy: 1.603 local terms energy: -270.957690 where: bonds (distance) C4'-P energy: -47.917 bonds (distance) P-C4' energy: -58.580 flat angles C4'-P-C4' energy: -65.908 flat angles P-C4'-P energy: -26.651 tors. eta vs tors. theta energy: -71.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -687.787666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.787666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.787666 (E_RNA) where: Base-Base interactions energy: -422.151 where: short stacking energy: -195.087 Base-Backbone interact. energy: -1.317 local terms energy: -264.320159 where: bonds (distance) C4'-P energy: -55.719 bonds (distance) P-C4' energy: -56.462 flat angles C4'-P-C4' energy: -62.664 flat angles P-C4'-P energy: -43.163 tors. eta vs tors. theta energy: -46.313 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: 9 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -595.162912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.162912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.162912 (E_RNA) where: Base-Base interactions energy: -371.645 where: short stacking energy: -167.455 Base-Backbone interact. energy: 0.501 local terms energy: -224.018635 where: bonds (distance) C4'-P energy: -47.247 bonds (distance) P-C4' energy: -54.363 flat angles C4'-P-C4' energy: -53.771 flat angles P-C4'-P energy: -36.944 tors. eta vs tors. theta energy: -31.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -564.785480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.785480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.785480 (E_RNA) where: Base-Base interactions energy: -333.109 where: short stacking energy: -169.329 Base-Backbone interact. energy: 4.768 local terms energy: -236.444014 where: bonds (distance) C4'-P energy: -56.974 bonds (distance) P-C4' energy: -57.237 flat angles C4'-P-C4' energy: -48.052 flat angles P-C4'-P energy: -36.620 tors. eta vs tors. theta energy: -37.561 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: 10, replica: 7 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -496.547602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.547602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.547602 (E_RNA) where: Base-Base interactions energy: -288.735 where: short stacking energy: -156.258 Base-Backbone interact. energy: -0.730 local terms energy: -207.081853 where: bonds (distance) C4'-P energy: -58.183 bonds (distance) P-C4' energy: -59.819 flat angles C4'-P-C4' energy: -42.996 flat angles P-C4'-P energy: -22.836 tors. eta vs tors. theta energy: -23.247 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: 1, replica: 8 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -1132.161335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.161335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.161335 (E_RNA) where: Base-Base interactions energy: -785.271 where: short stacking energy: -336.159 Base-Backbone interact. energy: -1.150 local terms energy: -345.739988 where: bonds (distance) C4'-P energy: -65.223 bonds (distance) P-C4' energy: -62.872 flat angles C4'-P-C4' energy: -74.183 flat angles P-C4'-P energy: -46.422 tors. eta vs tors. theta energy: -97.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -1154.028438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.028438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.028438 (E_RNA) where: Base-Base interactions energy: -796.203 where: short stacking energy: -342.712 Base-Backbone interact. energy: 0.836 local terms energy: -358.661518 where: bonds (distance) C4'-P energy: -61.483 bonds (distance) P-C4' energy: -68.592 flat angles C4'-P-C4' energy: -73.400 flat angles P-C4'-P energy: -49.809 tors. eta vs tors. theta energy: -105.377 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: 1 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -1025.657386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.657386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.657386 (E_RNA) where: Base-Base interactions energy: -700.705 where: short stacking energy: -311.217 Base-Backbone interact. energy: -1.066 local terms energy: -323.886783 where: bonds (distance) C4'-P energy: -55.085 bonds (distance) P-C4' energy: -65.297 flat angles C4'-P-C4' energy: -74.851 flat angles P-C4'-P energy: -36.113 tors. eta vs tors. theta energy: -92.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -1002.462575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.462575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.462575 (E_RNA) where: Base-Base interactions energy: -689.153 where: short stacking energy: -286.956 Base-Backbone interact. energy: -0.908 local terms energy: -312.401214 where: bonds (distance) C4'-P energy: -65.588 bonds (distance) P-C4' energy: -60.198 flat angles C4'-P-C4' energy: -59.696 flat angles P-C4'-P energy: -41.489 tors. eta vs tors. theta energy: -85.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -954.374107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.374107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.374107 (E_RNA) where: Base-Base interactions energy: -649.559 where: short stacking energy: -279.358 Base-Backbone interact. energy: -0.372 local terms energy: -304.443165 where: bonds (distance) C4'-P energy: -54.315 bonds (distance) P-C4' energy: -57.881 flat angles C4'-P-C4' energy: -69.341 flat angles P-C4'-P energy: -42.406 tors. eta vs tors. theta energy: -80.499 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: 5 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -783.191975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.191975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.191975 (E_RNA) where: Base-Base interactions energy: -498.964 where: short stacking energy: -231.104 Base-Backbone interact. energy: -1.740 local terms energy: -282.487662 where: bonds (distance) C4'-P energy: -59.204 bonds (distance) P-C4' energy: -60.242 flat angles C4'-P-C4' energy: -62.214 flat angles P-C4'-P energy: -41.157 tors. eta vs tors. theta energy: -59.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -717.890097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.890097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.890097 (E_RNA) where: Base-Base interactions energy: -469.685 where: short stacking energy: -215.723 Base-Backbone interact. energy: 0.317 local terms energy: -248.522428 where: bonds (distance) C4'-P energy: -40.019 bonds (distance) P-C4' energy: -53.820 flat angles C4'-P-C4' energy: -64.659 flat angles P-C4'-P energy: -41.247 tors. eta vs tors. theta energy: -48.777 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: 6 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -565.077608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.077608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.077608 (E_RNA) where: Base-Base interactions energy: -332.220 where: short stacking energy: -189.465 Base-Backbone interact. energy: 0.191 local terms energy: -233.048077 where: bonds (distance) C4'-P energy: -40.712 bonds (distance) P-C4' energy: -59.402 flat angles C4'-P-C4' energy: -51.180 flat angles P-C4'-P energy: -36.634 tors. eta vs tors. theta energy: -45.120 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: 9 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -608.220697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.220697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.220697 (E_RNA) where: Base-Base interactions energy: -359.448 where: short stacking energy: -170.267 Base-Backbone interact. energy: -1.725 local terms energy: -247.047384 where: bonds (distance) C4'-P energy: -50.289 bonds (distance) P-C4' energy: -64.911 flat angles C4'-P-C4' energy: -62.887 flat angles P-C4'-P energy: -33.804 tors. eta vs tors. theta energy: -35.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -488.059792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.059792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.059792 (E_RNA) where: Base-Base interactions energy: -299.231 where: short stacking energy: -147.606 Base-Backbone interact. energy: -2.085 local terms energy: -186.744023 where: bonds (distance) C4'-P energy: -43.167 bonds (distance) P-C4' energy: -44.445 flat angles C4'-P-C4' energy: -54.182 flat angles P-C4'-P energy: -33.163 tors. eta vs tors. theta energy: -11.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -1168.633647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.633647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.633647 (E_RNA) where: Base-Base interactions energy: -799.693 where: short stacking energy: -344.929 Base-Backbone interact. energy: -1.077 local terms energy: -367.863800 where: bonds (distance) C4'-P energy: -65.649 bonds (distance) P-C4' energy: -64.571 flat angles C4'-P-C4' energy: -71.774 flat angles P-C4'-P energy: -59.613 tors. eta vs tors. theta energy: -106.256 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: 8 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -1110.008758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.008758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.008758 (E_RNA) where: Base-Base interactions energy: -768.176 where: short stacking energy: -335.838 Base-Backbone interact. energy: -1.820 local terms energy: -340.013470 where: bonds (distance) C4'-P energy: -53.974 bonds (distance) P-C4' energy: -68.320 flat angles C4'-P-C4' energy: -68.371 flat angles P-C4'-P energy: -44.431 tors. eta vs tors. theta energy: -104.919 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: 1 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -1026.201182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.201182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.201182 (E_RNA) where: Base-Base interactions energy: -702.438 where: short stacking energy: -306.631 Base-Backbone interact. energy: -1.737 local terms energy: -322.026006 where: bonds (distance) C4'-P energy: -62.084 bonds (distance) P-C4' energy: -64.777 flat angles C4'-P-C4' energy: -66.859 flat angles P-C4'-P energy: -37.022 tors. eta vs tors. theta energy: -91.284 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: 408 Temperature: 1.050000 Total energy: -1046.724542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.724542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.724542 (E_RNA) where: Base-Base interactions energy: -714.066 where: short stacking energy: -306.645 Base-Backbone interact. energy: -0.878 local terms energy: -331.781200 where: bonds (distance) C4'-P energy: -61.084 bonds (distance) P-C4' energy: -56.132 flat angles C4'-P-C4' energy: -69.479 flat angles P-C4'-P energy: -50.216 tors. eta vs tors. theta energy: -94.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -953.113128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.113128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.113128 (E_RNA) where: Base-Base interactions energy: -647.307 where: short stacking energy: -283.723 Base-Backbone interact. energy: -1.522 local terms energy: -304.283907 where: bonds (distance) C4'-P energy: -66.319 bonds (distance) P-C4' energy: -51.476 flat angles C4'-P-C4' energy: -63.933 flat angles P-C4'-P energy: -43.782 tors. eta vs tors. theta energy: -78.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -728.351647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.351647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.351647 (E_RNA) where: Base-Base interactions energy: -479.316 where: short stacking energy: -223.692 Base-Backbone interact. energy: 1.054 local terms energy: -250.089618 where: bonds (distance) C4'-P energy: -47.117 bonds (distance) P-C4' energy: -52.774 flat angles C4'-P-C4' energy: -64.534 flat angles P-C4'-P energy: -36.175 tors. eta vs tors. theta energy: -49.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -746.439395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.439395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.439395 (E_RNA) where: Base-Base interactions energy: -481.075 where: short stacking energy: -211.303 Base-Backbone interact. energy: -1.428 local terms energy: -263.937027 where: bonds (distance) C4'-P energy: -45.642 bonds (distance) P-C4' energy: -59.281 flat angles C4'-P-C4' energy: -57.014 flat angles P-C4'-P energy: -47.540 tors. eta vs tors. theta energy: -54.460 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: 8, replica: 6 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -536.197802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.197802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.197802 (E_RNA) where: Base-Base interactions energy: -309.453 where: short stacking energy: -154.787 Base-Backbone interact. energy: -0.912 local terms energy: -225.832640 where: bonds (distance) C4'-P energy: -52.320 bonds (distance) P-C4' energy: -54.032 flat angles C4'-P-C4' energy: -56.895 flat angles P-C4'-P energy: -30.270 tors. eta vs tors. theta energy: -32.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -597.469534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.469534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.469534 (E_RNA) where: Base-Base interactions energy: -376.129 where: short stacking energy: -191.208 Base-Backbone interact. energy: -2.855 local terms energy: -218.485016 where: bonds (distance) C4'-P energy: -43.120 bonds (distance) P-C4' energy: -56.530 flat angles C4'-P-C4' energy: -44.378 flat angles P-C4'-P energy: -41.716 tors. eta vs tors. theta energy: -32.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -515.041013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.041013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.041013 (E_RNA) where: Base-Base interactions energy: -293.067 where: short stacking energy: -135.990 Base-Backbone interact. energy: -2.468 local terms energy: -219.505935 where: bonds (distance) C4'-P energy: -51.830 bonds (distance) P-C4' energy: -50.172 flat angles C4'-P-C4' energy: -63.254 flat angles P-C4'-P energy: -32.861 tors. eta vs tors. theta energy: -21.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -1191.626003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.626003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.626003 (E_RNA) where: Base-Base interactions energy: -822.948 where: short stacking energy: -349.425 Base-Backbone interact. energy: -0.117 local terms energy: -368.561489 where: bonds (distance) C4'-P energy: -72.316 bonds (distance) P-C4' energy: -65.527 flat angles C4'-P-C4' energy: -69.712 flat angles P-C4'-P energy: -53.205 tors. eta vs tors. theta energy: -107.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -1098.615287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.615287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.615287 (E_RNA) where: Base-Base interactions energy: -765.279 where: short stacking energy: -316.407 Base-Backbone interact. energy: -2.837 local terms energy: -330.499165 where: bonds (distance) C4'-P energy: -59.655 bonds (distance) P-C4' energy: -61.399 flat angles C4'-P-C4' energy: -70.645 flat angles P-C4'-P energy: -43.832 tors. eta vs tors. theta energy: -94.969 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: 1 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -1051.898323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.898323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.898323 (E_RNA) where: Base-Base interactions energy: -689.699 where: short stacking energy: -313.940 Base-Backbone interact. energy: -0.225 local terms energy: -361.975041 where: bonds (distance) C4'-P energy: -73.951 bonds (distance) P-C4' energy: -63.131 flat angles C4'-P-C4' energy: -72.271 flat angles P-C4'-P energy: -52.045 tors. eta vs tors. theta energy: -100.577 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: 409 Temperature: 1.050000 Total energy: -1049.995907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.995907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.995907 (E_RNA) where: Base-Base interactions energy: -729.804 where: short stacking energy: -311.091 Base-Backbone interact. energy: 1.977 local terms energy: -322.168762 where: bonds (distance) C4'-P energy: -55.553 bonds (distance) P-C4' energy: -55.203 flat angles C4'-P-C4' energy: -71.040 flat angles P-C4'-P energy: -49.412 tors. eta vs tors. theta energy: -90.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -958.772077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.772077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.772077 (E_RNA) where: Base-Base interactions energy: -647.339 where: short stacking energy: -278.649 Base-Backbone interact. energy: -0.935 local terms energy: -310.497943 where: bonds (distance) C4'-P energy: -54.654 bonds (distance) P-C4' energy: -56.128 flat angles C4'-P-C4' energy: -66.445 flat angles P-C4'-P energy: -46.399 tors. eta vs tors. theta energy: -86.872 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: 409 Temperature: 1.150000 Total energy: -778.145007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.145007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.145007 (E_RNA) where: Base-Base interactions energy: -499.353 where: short stacking energy: -213.877 Base-Backbone interact. energy: -1.421 local terms energy: -277.370550 where: bonds (distance) C4'-P energy: -67.080 bonds (distance) P-C4' energy: -65.157 flat angles C4'-P-C4' energy: -56.103 flat angles P-C4'-P energy: -38.752 tors. eta vs tors. theta energy: -50.278 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: 5 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -702.895006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.895006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.895006 (E_RNA) where: Base-Base interactions energy: -450.464 where: short stacking energy: -196.838 Base-Backbone interact. energy: -1.617 local terms energy: -250.813343 where: bonds (distance) C4'-P energy: -47.799 bonds (distance) P-C4' energy: -57.906 flat angles C4'-P-C4' energy: -59.591 flat angles P-C4'-P energy: -37.821 tors. eta vs tors. theta energy: -47.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -636.771199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.771199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.771199 (E_RNA) where: Base-Base interactions energy: -395.242 where: short stacking energy: -172.860 Base-Backbone interact. energy: 1.478 local terms energy: -243.006932 where: bonds (distance) C4'-P energy: -48.473 bonds (distance) P-C4' energy: -59.930 flat angles C4'-P-C4' energy: -49.655 flat angles P-C4'-P energy: -46.860 tors. eta vs tors. theta energy: -38.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -534.650853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.650853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.650853 (E_RNA) where: Base-Base interactions energy: -318.432 where: short stacking energy: -146.714 Base-Backbone interact. energy: -0.509 local terms energy: -215.709423 where: bonds (distance) C4'-P energy: -54.478 bonds (distance) P-C4' energy: -59.819 flat angles C4'-P-C4' energy: -45.919 flat angles P-C4'-P energy: -34.684 tors. eta vs tors. theta energy: -20.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -507.072925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.072925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.072925 (E_RNA) where: Base-Base interactions energy: -301.294 where: short stacking energy: -140.644 Base-Backbone interact. energy: 1.172 local terms energy: -206.950175 where: bonds (distance) C4'-P energy: -59.019 bonds (distance) P-C4' energy: -52.512 flat angles C4'-P-C4' energy: -41.748 flat angles P-C4'-P energy: -37.730 tors. eta vs tors. theta energy: -15.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -1201.127860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.127860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.127860 (E_RNA) where: Base-Base interactions energy: -816.257 where: short stacking energy: -367.931 Base-Backbone interact. energy: -1.570 local terms energy: -383.301284 where: bonds (distance) C4'-P energy: -67.034 bonds (distance) P-C4' energy: -69.558 flat angles C4'-P-C4' energy: -76.660 flat angles P-C4'-P energy: -57.559 tors. eta vs tors. theta energy: -112.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -1096.536563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.536563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.536563 (E_RNA) where: Base-Base interactions energy: -758.537 where: short stacking energy: -312.448 Base-Backbone interact. energy: -1.216 local terms energy: -336.783346 where: bonds (distance) C4'-P energy: -61.061 bonds (distance) P-C4' energy: -58.498 flat angles C4'-P-C4' energy: -73.728 flat angles P-C4'-P energy: -48.950 tors. eta vs tors. theta energy: -94.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -1068.770256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.770256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.770256 (E_RNA) where: Base-Base interactions energy: -729.523 where: short stacking energy: -306.930 Base-Backbone interact. energy: -1.862 local terms energy: -337.384626 where: bonds (distance) C4'-P energy: -59.199 bonds (distance) P-C4' energy: -61.178 flat angles C4'-P-C4' energy: -70.255 flat angles P-C4'-P energy: -53.194 tors. eta vs tors. theta energy: -93.558 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: 1 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -1001.568783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.568783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.568783 (E_RNA) where: Base-Base interactions energy: -671.561 where: short stacking energy: -300.026 Base-Backbone interact. energy: -0.399 local terms energy: -329.609151 where: bonds (distance) C4'-P energy: -57.490 bonds (distance) P-C4' energy: -62.197 flat angles C4'-P-C4' energy: -71.051 flat angles P-C4'-P energy: -47.057 tors. eta vs tors. theta energy: -91.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -970.098839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.098839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.098839 (E_RNA) where: Base-Base interactions energy: -642.380 where: short stacking energy: -280.703 Base-Backbone interact. energy: -0.148 local terms energy: -327.570578 where: bonds (distance) C4'-P energy: -66.500 bonds (distance) P-C4' energy: -69.282 flat angles C4'-P-C4' energy: -63.552 flat angles P-C4'-P energy: -40.370 tors. eta vs tors. theta energy: -87.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -746.889492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.889492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.889492 (E_RNA) where: Base-Base interactions energy: -466.180 where: short stacking energy: -205.700 Base-Backbone interact. energy: 1.053 local terms energy: -281.762378 where: bonds (distance) C4'-P energy: -58.858 bonds (distance) P-C4' energy: -61.206 flat angles C4'-P-C4' energy: -66.276 flat angles P-C4'-P energy: -48.789 tors. eta vs tors. theta energy: -46.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -723.327082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.327082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.327082 (E_RNA) where: Base-Base interactions energy: -472.292 where: short stacking energy: -216.205 Base-Backbone interact. energy: -0.649 local terms energy: -250.386701 where: bonds (distance) C4'-P energy: -56.963 bonds (distance) P-C4' energy: -52.819 flat angles C4'-P-C4' energy: -59.667 flat angles P-C4'-P energy: -29.378 tors. eta vs tors. theta energy: -51.560 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: 9 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -624.140635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.140635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.140635 (E_RNA) where: Base-Base interactions energy: -386.110 where: short stacking energy: -195.677 Base-Backbone interact. energy: 1.393 local terms energy: -239.423872 where: bonds (distance) C4'-P energy: -51.510 bonds (distance) P-C4' energy: -50.615 flat angles C4'-P-C4' energy: -62.922 flat angles P-C4'-P energy: -35.481 tors. eta vs tors. theta energy: -38.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -515.478008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.478008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.478008 (E_RNA) where: Base-Base interactions energy: -303.204 where: short stacking energy: -159.386 Base-Backbone interact. energy: -0.413 local terms energy: -211.861342 where: bonds (distance) C4'-P energy: -52.947 bonds (distance) P-C4' energy: -49.827 flat angles C4'-P-C4' energy: -51.996 flat angles P-C4'-P energy: -30.803 tors. eta vs tors. theta energy: -26.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -518.648120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.648120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.648120 (E_RNA) where: Base-Base interactions energy: -302.438 where: short stacking energy: -142.304 Base-Backbone interact. energy: 1.138 local terms energy: -217.348111 where: bonds (distance) C4'-P energy: -59.470 bonds (distance) P-C4' energy: -59.068 flat angles C4'-P-C4' energy: -43.897 flat angles P-C4'-P energy: -32.665 tors. eta vs tors. theta energy: -22.247 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: 1, replica: 2 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -1176.579529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.579529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.579529 (E_RNA) where: Base-Base interactions energy: -827.530 where: short stacking energy: -368.619 Base-Backbone interact. energy: -0.050 local terms energy: -348.999775 where: bonds (distance) C4'-P energy: -60.185 bonds (distance) P-C4' energy: -53.743 flat angles C4'-P-C4' energy: -76.280 flat angles P-C4'-P energy: -48.243 tors. eta vs tors. theta energy: -110.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -1086.202958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.202958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.202958 (E_RNA) where: Base-Base interactions energy: -765.685 where: short stacking energy: -311.249 Base-Backbone interact. energy: -2.231 local terms energy: -318.286328 where: bonds (distance) C4'-P energy: -63.736 bonds (distance) P-C4' energy: -59.245 flat angles C4'-P-C4' energy: -63.539 flat angles P-C4'-P energy: -37.114 tors. eta vs tors. theta energy: -94.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -1064.518395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.518395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.518395 (E_RNA) where: Base-Base interactions energy: -753.770 where: short stacking energy: -330.787 Base-Backbone interact. energy: -0.452 local terms energy: -310.297022 where: bonds (distance) C4'-P energy: -53.679 bonds (distance) P-C4' energy: -57.188 flat angles C4'-P-C4' energy: -70.141 flat angles P-C4'-P energy: -40.057 tors. eta vs tors. theta energy: -89.232 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: 4 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -1000.006595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.006595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.006595 (E_RNA) where: Base-Base interactions energy: -690.086 where: short stacking energy: -280.583 Base-Backbone interact. energy: -0.161 local terms energy: -309.759731 where: bonds (distance) C4'-P energy: -42.996 bonds (distance) P-C4' energy: -58.635 flat angles C4'-P-C4' energy: -73.011 flat angles P-C4'-P energy: -51.215 tors. eta vs tors. theta energy: -83.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -955.850244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.850244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.850244 (E_RNA) where: Base-Base interactions energy: -640.308 where: short stacking energy: -279.248 Base-Backbone interact. energy: -2.382 local terms energy: -313.159823 where: bonds (distance) C4'-P energy: -56.859 bonds (distance) P-C4' energy: -60.309 flat angles C4'-P-C4' energy: -67.269 flat angles P-C4'-P energy: -46.611 tors. eta vs tors. theta energy: -82.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -731.200315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.200315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.200315 (E_RNA) where: Base-Base interactions energy: -474.103 where: short stacking energy: -214.499 Base-Backbone interact. energy: -2.661 local terms energy: -254.436755 where: bonds (distance) C4'-P energy: -43.925 bonds (distance) P-C4' energy: -62.563 flat angles C4'-P-C4' energy: -60.083 flat angles P-C4'-P energy: -43.953 tors. eta vs tors. theta energy: -43.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -785.031235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.031235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.031235 (E_RNA) where: Base-Base interactions energy: -521.422 where: short stacking energy: -243.672 Base-Backbone interact. energy: -0.997 local terms energy: -262.611618 where: bonds (distance) C4'-P energy: -46.434 bonds (distance) P-C4' energy: -51.722 flat angles C4'-P-C4' energy: -64.797 flat angles P-C4'-P energy: -36.454 tors. eta vs tors. theta energy: -63.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -665.622888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.622888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.622888 (E_RNA) where: Base-Base interactions energy: -410.242 where: short stacking energy: -184.477 Base-Backbone interact. energy: -1.159 local terms energy: -254.221341 where: bonds (distance) C4'-P energy: -51.196 bonds (distance) P-C4' energy: -62.660 flat angles C4'-P-C4' energy: -53.592 flat angles P-C4'-P energy: -46.708 tors. eta vs tors. theta energy: -40.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -481.081073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.081073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.081073 (E_RNA) where: Base-Base interactions energy: -269.270 where: short stacking energy: -154.049 Base-Backbone interact. energy: 4.428 local terms energy: -216.238655 where: bonds (distance) C4'-P energy: -58.220 bonds (distance) P-C4' energy: -47.475 flat angles C4'-P-C4' energy: -53.717 flat angles P-C4'-P energy: -33.494 tors. eta vs tors. theta energy: -23.333 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: 7 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -462.847344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.847344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.847344 (E_RNA) where: Base-Base interactions energy: -261.473 where: short stacking energy: -117.534 Base-Backbone interact. energy: -1.605 local terms energy: -199.768560 where: bonds (distance) C4'-P energy: -43.817 bonds (distance) P-C4' energy: -67.718 flat angles C4'-P-C4' energy: -48.391 flat angles P-C4'-P energy: -34.505 tors. eta vs tors. theta energy: -5.338 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: 2 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -1174.446073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.446073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.446073 (E_RNA) where: Base-Base interactions energy: -797.481 where: short stacking energy: -348.642 Base-Backbone interact. energy: -0.304 local terms energy: -376.660278 where: bonds (distance) C4'-P energy: -65.194 bonds (distance) P-C4' energy: -73.079 flat angles C4'-P-C4' energy: -68.934 flat angles P-C4'-P energy: -55.004 tors. eta vs tors. theta energy: -114.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -1104.041185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.041185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.041185 (E_RNA) where: Base-Base interactions energy: -775.348 where: short stacking energy: -336.475 Base-Backbone interact. energy: -0.651 local terms energy: -328.042712 where: bonds (distance) C4'-P energy: -53.619 bonds (distance) P-C4' energy: -53.491 flat angles C4'-P-C4' energy: -65.949 flat angles P-C4'-P energy: -53.281 tors. eta vs tors. theta energy: -101.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -1082.118705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.118705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.118705 (E_RNA) where: Base-Base interactions energy: -744.123 where: short stacking energy: -311.084 Base-Backbone interact. energy: 2.036 local terms energy: -340.032169 where: bonds (distance) C4'-P energy: -64.264 bonds (distance) P-C4' energy: -67.596 flat angles C4'-P-C4' energy: -66.851 flat angles P-C4'-P energy: -45.005 tors. eta vs tors. theta energy: -96.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -990.729625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.729625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.729625 (E_RNA) where: Base-Base interactions energy: -684.104 where: short stacking energy: -300.516 Base-Backbone interact. energy: 0.305 local terms energy: -306.930920 where: bonds (distance) C4'-P energy: -58.342 bonds (distance) P-C4' energy: -55.226 flat angles C4'-P-C4' energy: -60.487 flat angles P-C4'-P energy: -48.796 tors. eta vs tors. theta energy: -84.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -936.806745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.806745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.806745 (E_RNA) where: Base-Base interactions energy: -634.083 where: short stacking energy: -277.276 Base-Backbone interact. energy: -1.433 local terms energy: -301.290530 where: bonds (distance) C4'-P energy: -66.349 bonds (distance) P-C4' energy: -54.442 flat angles C4'-P-C4' energy: -66.028 flat angles P-C4'-P energy: -38.466 tors. eta vs tors. theta energy: -76.005 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: 5 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -704.455862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.455862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.455862 (E_RNA) where: Base-Base interactions energy: -447.921 where: short stacking energy: -194.444 Base-Backbone interact. energy: 3.299 local terms energy: -259.833754 where: bonds (distance) C4'-P energy: -63.131 bonds (distance) P-C4' energy: -53.720 flat angles C4'-P-C4' energy: -58.760 flat angles P-C4'-P energy: -35.294 tors. eta vs tors. theta energy: -48.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -759.104671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.104671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.104671 (E_RNA) where: Base-Base interactions energy: -509.364 where: short stacking energy: -206.314 Base-Backbone interact. energy: -0.167 local terms energy: -249.573201 where: bonds (distance) C4'-P energy: -46.484 bonds (distance) P-C4' energy: -55.302 flat angles C4'-P-C4' energy: -60.881 flat angles P-C4'-P energy: -40.444 tors. eta vs tors. theta energy: -46.462 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: 9 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -676.275275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.275275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.275275 (E_RNA) where: Base-Base interactions energy: -430.869 where: short stacking energy: -208.641 Base-Backbone interact. energy: -1.109 local terms energy: -244.297490 where: bonds (distance) C4'-P energy: -50.795 bonds (distance) P-C4' energy: -61.924 flat angles C4'-P-C4' energy: -52.542 flat angles P-C4'-P energy: -31.792 tors. eta vs tors. theta energy: -47.245 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: 7 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -481.331785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.331785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.331785 (E_RNA) where: Base-Base interactions energy: -285.649 where: short stacking energy: -132.644 Base-Backbone interact. energy: 2.220 local terms energy: -197.902989 where: bonds (distance) C4'-P energy: -54.761 bonds (distance) P-C4' energy: -50.195 flat angles C4'-P-C4' energy: -39.717 flat angles P-C4'-P energy: -33.996 tors. eta vs tors. theta energy: -19.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -482.904581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.904581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.904581 (E_RNA) where: Base-Base interactions energy: -312.051 where: short stacking energy: -142.003 Base-Backbone interact. energy: 5.106 local terms energy: -175.960208 where: bonds (distance) C4'-P energy: -43.684 bonds (distance) P-C4' energy: -46.130 flat angles C4'-P-C4' energy: -50.610 flat angles P-C4'-P energy: -16.814 tors. eta vs tors. theta energy: -18.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -1191.207700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.207700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.207700 (E_RNA) where: Base-Base interactions energy: -823.153 where: short stacking energy: -374.008 Base-Backbone interact. energy: -1.145 local terms energy: -366.909043 where: bonds (distance) C4'-P energy: -62.645 bonds (distance) P-C4' energy: -63.784 flat angles C4'-P-C4' energy: -75.404 flat angles P-C4'-P energy: -51.690 tors. eta vs tors. theta energy: -113.386 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: 2, replica: 8 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -1122.299968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.299968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.299968 (E_RNA) where: Base-Base interactions energy: -791.277 where: short stacking energy: -337.818 Base-Backbone interact. energy: -1.450 local terms energy: -329.573088 where: bonds (distance) C4'-P energy: -50.565 bonds (distance) P-C4' energy: -67.066 flat angles C4'-P-C4' energy: -66.737 flat angles P-C4'-P energy: -45.688 tors. eta vs tors. theta energy: -99.517 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: 3, replica: 3 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -1056.627577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.627577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.627577 (E_RNA) where: Base-Base interactions energy: -713.228 where: short stacking energy: -312.197 Base-Backbone interact. energy: -1.108 local terms energy: -342.291435 where: bonds (distance) C4'-P energy: -61.814 bonds (distance) P-C4' energy: -58.365 flat angles C4'-P-C4' energy: -74.424 flat angles P-C4'-P energy: -49.020 tors. eta vs tors. theta energy: -98.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -1019.313012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.313012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.313012 (E_RNA) where: Base-Base interactions energy: -690.267 where: short stacking energy: -300.049 Base-Backbone interact. energy: -0.391 local terms energy: -328.654403 where: bonds (distance) C4'-P energy: -53.115 bonds (distance) P-C4' energy: -62.870 flat angles C4'-P-C4' energy: -72.961 flat angles P-C4'-P energy: -42.443 tors. eta vs tors. theta energy: -97.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -959.097665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.097665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.097665 (E_RNA) where: Base-Base interactions energy: -639.604 where: short stacking energy: -287.864 Base-Backbone interact. energy: 0.411 local terms energy: -319.904161 where: bonds (distance) C4'-P energy: -50.423 bonds (distance) P-C4' energy: -56.562 flat angles C4'-P-C4' energy: -68.038 flat angles P-C4'-P energy: -52.658 tors. eta vs tors. theta energy: -92.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -815.836353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.836353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.836353 (E_RNA) where: Base-Base interactions energy: -537.440 where: short stacking energy: -232.668 Base-Backbone interact. energy: -2.476 local terms energy: -275.919509 where: bonds (distance) C4'-P energy: -54.914 bonds (distance) P-C4' energy: -55.395 flat angles C4'-P-C4' energy: -65.875 flat angles P-C4'-P energy: -37.576 tors. eta vs tors. theta energy: -62.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -684.779372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.779372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.779372 (E_RNA) where: Base-Base interactions energy: -414.038 where: short stacking energy: -220.823 Base-Backbone interact. energy: -0.736 local terms energy: -270.005501 where: bonds (distance) C4'-P energy: -59.287 bonds (distance) P-C4' energy: -49.927 flat angles C4'-P-C4' energy: -60.190 flat angles P-C4'-P energy: -41.388 tors. eta vs tors. theta energy: -59.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -631.233281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.233281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.233281 (E_RNA) where: Base-Base interactions energy: -389.328 where: short stacking energy: -171.920 Base-Backbone interact. energy: 0.106 local terms energy: -242.010679 where: bonds (distance) C4'-P energy: -62.152 bonds (distance) P-C4' energy: -60.940 flat angles C4'-P-C4' energy: -56.453 flat angles P-C4'-P energy: -32.459 tors. eta vs tors. theta energy: -30.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -487.528081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.528081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.528081 (E_RNA) where: Base-Base interactions energy: -267.482 where: short stacking energy: -154.627 Base-Backbone interact. energy: -2.060 local terms energy: -217.985988 where: bonds (distance) C4'-P energy: -40.702 bonds (distance) P-C4' energy: -56.418 flat angles C4'-P-C4' energy: -51.988 flat angles P-C4'-P energy: -45.271 tors. eta vs tors. theta energy: -23.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -478.184212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.184212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.184212 (E_RNA) where: Base-Base interactions energy: -271.710 where: short stacking energy: -145.182 Base-Backbone interact. energy: 1.335 local terms energy: -207.809797 where: bonds (distance) C4'-P energy: -47.145 bonds (distance) P-C4' energy: -62.113 flat angles C4'-P-C4' energy: -38.819 flat angles P-C4'-P energy: -30.667 tors. eta vs tors. theta energy: -29.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -1184.735332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.735332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.735332 (E_RNA) where: Base-Base interactions energy: -820.143 where: short stacking energy: -355.848 Base-Backbone interact. energy: -1.891 local terms energy: -362.701535 where: bonds (distance) C4'-P energy: -62.237 bonds (distance) P-C4' energy: -64.299 flat angles C4'-P-C4' energy: -72.145 flat angles P-C4'-P energy: -53.807 tors. eta vs tors. theta energy: -110.213 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: 2, replica: 8 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -1127.612853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.612853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.612853 (E_RNA) where: Base-Base interactions energy: -791.230 where: short stacking energy: -322.091 Base-Backbone interact. energy: -1.973 local terms energy: -334.409343 where: bonds (distance) C4'-P energy: -62.460 bonds (distance) P-C4' energy: -57.575 flat angles C4'-P-C4' energy: -72.167 flat angles P-C4'-P energy: -43.925 tors. eta vs tors. theta energy: -98.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -1050.545805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.545805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.545805 (E_RNA) where: Base-Base interactions energy: -722.090 where: short stacking energy: -315.705 Base-Backbone interact. energy: 0.081 local terms energy: -328.537341 where: bonds (distance) C4'-P energy: -53.867 bonds (distance) P-C4' energy: -60.170 flat angles C4'-P-C4' energy: -72.606 flat angles P-C4'-P energy: -50.063 tors. eta vs tors. theta energy: -91.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -1010.581104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.581104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.581104 (E_RNA) where: Base-Base interactions energy: -689.654 where: short stacking energy: -310.054 Base-Backbone interact. energy: -1.553 local terms energy: -319.374087 where: bonds (distance) C4'-P energy: -59.021 bonds (distance) P-C4' energy: -57.566 flat angles C4'-P-C4' energy: -70.717 flat angles P-C4'-P energy: -40.701 tors. eta vs tors. theta energy: -91.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -976.360320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.360320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.360320 (E_RNA) where: Base-Base interactions energy: -684.944 where: short stacking energy: -296.755 Base-Backbone interact. energy: 0.044 local terms energy: -291.460476 where: bonds (distance) C4'-P energy: -52.420 bonds (distance) P-C4' energy: -40.536 flat angles C4'-P-C4' energy: -62.268 flat angles P-C4'-P energy: -46.713 tors. eta vs tors. theta energy: -89.523 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: 414 Temperature: 1.150000 Total energy: -821.496720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.496720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.496720 (E_RNA) where: Base-Base interactions energy: -555.753 where: short stacking energy: -259.441 Base-Backbone interact. energy: -1.467 local terms energy: -264.276612 where: bonds (distance) C4'-P energy: -44.102 bonds (distance) P-C4' energy: -52.535 flat angles C4'-P-C4' energy: -66.316 flat angles P-C4'-P energy: -36.174 tors. eta vs tors. theta energy: -65.150 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: 9 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -673.389955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.389955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.389955 (E_RNA) where: Base-Base interactions energy: -416.125 where: short stacking energy: -218.581 Base-Backbone interact. energy: 0.433 local terms energy: -257.698264 where: bonds (distance) C4'-P energy: -56.466 bonds (distance) P-C4' energy: -58.382 flat angles C4'-P-C4' energy: -61.099 flat angles P-C4'-P energy: -34.930 tors. eta vs tors. theta energy: -46.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -637.589141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.589141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.589141 (E_RNA) where: Base-Base interactions energy: -392.906 where: short stacking energy: -190.846 Base-Backbone interact. energy: 0.720 local terms energy: -245.402680 where: bonds (distance) C4'-P energy: -62.050 bonds (distance) P-C4' energy: -63.630 flat angles C4'-P-C4' energy: -48.087 flat angles P-C4'-P energy: -30.531 tors. eta vs tors. theta energy: -41.105 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: 6 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -526.346243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.346243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.346243 (E_RNA) where: Base-Base interactions energy: -314.884 where: short stacking energy: -144.547 Base-Backbone interact. energy: -0.893 local terms energy: -210.569509 where: bonds (distance) C4'-P energy: -60.926 bonds (distance) P-C4' energy: -41.845 flat angles C4'-P-C4' energy: -52.196 flat angles P-C4'-P energy: -37.801 tors. eta vs tors. theta energy: -17.801 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: 10, replica: 7 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -451.344215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.344215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.344215 (E_RNA) where: Base-Base interactions energy: -279.363 where: short stacking energy: -125.922 Base-Backbone interact. energy: 2.028 local terms energy: -174.008870 where: bonds (distance) C4'-P energy: -40.062 bonds (distance) P-C4' energy: -40.396 flat angles C4'-P-C4' energy: -57.879 flat angles P-C4'-P energy: -24.240 tors. eta vs tors. theta energy: -11.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -1170.386956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.386956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.386956 (E_RNA) where: Base-Base interactions energy: -811.113 where: short stacking energy: -340.372 Base-Backbone interact. energy: -0.701 local terms energy: -358.572136 where: bonds (distance) C4'-P energy: -73.909 bonds (distance) P-C4' energy: -65.353 flat angles C4'-P-C4' energy: -70.126 flat angles P-C4'-P energy: -43.418 tors. eta vs tors. theta energy: -105.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -1128.643109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.643109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.643109 (E_RNA) where: Base-Base interactions energy: -780.983 where: short stacking energy: -334.838 Base-Backbone interact. energy: -0.174 local terms energy: -347.486505 where: bonds (distance) C4'-P energy: -63.301 bonds (distance) P-C4' energy: -64.632 flat angles C4'-P-C4' energy: -71.954 flat angles P-C4'-P energy: -44.472 tors. eta vs tors. theta energy: -103.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -1058.109583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.109583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.109583 (E_RNA) where: Base-Base interactions energy: -723.061 where: short stacking energy: -319.699 Base-Backbone interact. energy: -0.361 local terms energy: -334.687448 where: bonds (distance) C4'-P energy: -60.388 bonds (distance) P-C4' energy: -59.215 flat angles C4'-P-C4' energy: -74.287 flat angles P-C4'-P energy: -46.047 tors. eta vs tors. theta energy: -94.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -1001.445424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.445424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.445424 (E_RNA) where: Base-Base interactions energy: -694.401 where: short stacking energy: -311.058 Base-Backbone interact. energy: 1.383 local terms energy: -308.427653 where: bonds (distance) C4'-P energy: -57.620 bonds (distance) P-C4' energy: -58.477 flat angles C4'-P-C4' energy: -69.915 flat angles P-C4'-P energy: -40.059 tors. eta vs tors. theta energy: -82.357 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: 1 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -972.489941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.489941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.489941 (E_RNA) where: Base-Base interactions energy: -659.816 where: short stacking energy: -284.020 Base-Backbone interact. energy: 1.610 local terms energy: -314.283957 where: bonds (distance) C4'-P energy: -49.300 bonds (distance) P-C4' energy: -53.221 flat angles C4'-P-C4' energy: -71.564 flat angles P-C4'-P energy: -52.695 tors. eta vs tors. theta energy: -87.503 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: 10 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -849.900409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.900409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.900409 (E_RNA) where: Base-Base interactions energy: -554.457 where: short stacking energy: -247.821 Base-Backbone interact. energy: -0.938 local terms energy: -294.505571 where: bonds (distance) C4'-P energy: -61.468 bonds (distance) P-C4' energy: -53.168 flat angles C4'-P-C4' energy: -57.230 flat angles P-C4'-P energy: -38.591 tors. eta vs tors. theta energy: -84.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -684.557968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.557968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.557968 (E_RNA) where: Base-Base interactions energy: -427.832 where: short stacking energy: -214.681 Base-Backbone interact. energy: -1.107 local terms energy: -255.619665 where: bonds (distance) C4'-P energy: -60.392 bonds (distance) P-C4' energy: -48.418 flat angles C4'-P-C4' energy: -65.105 flat angles P-C4'-P energy: -31.304 tors. eta vs tors. theta energy: -50.401 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: 5 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -646.639794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.639794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.639794 (E_RNA) where: Base-Base interactions energy: -399.175 where: short stacking energy: -206.353 Base-Backbone interact. energy: -0.801 local terms energy: -246.663608 where: bonds (distance) C4'-P energy: -44.897 bonds (distance) P-C4' energy: -55.471 flat angles C4'-P-C4' energy: -68.504 flat angles P-C4'-P energy: -29.662 tors. eta vs tors. theta energy: -48.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -555.854552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.854552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.854552 (E_RNA) where: Base-Base interactions energy: -342.657 where: short stacking energy: -163.371 Base-Backbone interact. energy: 1.654 local terms energy: -214.850910 where: bonds (distance) C4'-P energy: -52.558 bonds (distance) P-C4' energy: -55.440 flat angles C4'-P-C4' energy: -47.333 flat angles P-C4'-P energy: -35.378 tors. eta vs tors. theta energy: -24.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -441.951709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.951709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.951709 (E_RNA) where: Base-Base interactions energy: -242.661 where: short stacking energy: -125.844 Base-Backbone interact. energy: -1.055 local terms energy: -198.236056 where: bonds (distance) C4'-P energy: -45.323 bonds (distance) P-C4' energy: -54.266 flat angles C4'-P-C4' energy: -57.221 flat angles P-C4'-P energy: -19.387 tors. eta vs tors. theta energy: -22.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -1173.654390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.654390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.654390 (E_RNA) where: Base-Base interactions energy: -807.954 where: short stacking energy: -346.590 Base-Backbone interact. energy: -0.757 local terms energy: -364.943449 where: bonds (distance) C4'-P energy: -65.032 bonds (distance) P-C4' energy: -63.790 flat angles C4'-P-C4' energy: -72.710 flat angles P-C4'-P energy: -51.105 tors. eta vs tors. theta energy: -112.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -1106.810138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.810138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.810138 (E_RNA) where: Base-Base interactions energy: -785.896 where: short stacking energy: -331.868 Base-Backbone interact. energy: 0.877 local terms energy: -321.790950 where: bonds (distance) C4'-P energy: -63.968 bonds (distance) P-C4' energy: -61.623 flat angles C4'-P-C4' energy: -58.507 flat angles P-C4'-P energy: -40.961 tors. eta vs tors. theta energy: -96.731 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: 416 Temperature: 1.000000 Total energy: -1043.347669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.347669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.347669 (E_RNA) where: Base-Base interactions energy: -716.389 where: short stacking energy: -304.970 Base-Backbone interact. energy: -0.678 local terms energy: -326.280227 where: bonds (distance) C4'-P energy: -59.009 bonds (distance) P-C4' energy: -56.181 flat angles C4'-P-C4' energy: -71.924 flat angles P-C4'-P energy: -45.662 tors. eta vs tors. theta energy: -93.503 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: 4, replica: 4 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -1013.876167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.876167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.876167 (E_RNA) where: Base-Base interactions energy: -694.697 where: short stacking energy: -285.582 Base-Backbone interact. energy: 0.190 local terms energy: -319.369118 where: bonds (distance) C4'-P energy: -66.592 bonds (distance) P-C4' energy: -64.711 flat angles C4'-P-C4' energy: -63.981 flat angles P-C4'-P energy: -49.188 tors. eta vs tors. theta energy: -74.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -941.128546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.128546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.128546 (E_RNA) where: Base-Base interactions energy: -657.086 where: short stacking energy: -282.454 Base-Backbone interact. energy: -1.432 local terms energy: -282.611088 where: bonds (distance) C4'-P energy: -44.397 bonds (distance) P-C4' energy: -47.870 flat angles C4'-P-C4' energy: -61.969 flat angles P-C4'-P energy: -40.752 tors. eta vs tors. theta energy: -87.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -844.401108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.401108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.401108 (E_RNA) where: Base-Base interactions energy: -561.932 where: short stacking energy: -266.097 Base-Backbone interact. energy: 0.734 local terms energy: -283.203099 where: bonds (distance) C4'-P energy: -54.122 bonds (distance) P-C4' energy: -59.207 flat angles C4'-P-C4' energy: -69.571 flat angles P-C4'-P energy: -31.012 tors. eta vs tors. theta energy: -69.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -690.472266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.472266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.472266 (E_RNA) where: Base-Base interactions energy: -423.040 where: short stacking energy: -209.164 Base-Backbone interact. energy: -0.379 local terms energy: -267.053435 where: bonds (distance) C4'-P energy: -58.889 bonds (distance) P-C4' energy: -53.489 flat angles C4'-P-C4' energy: -60.377 flat angles P-C4'-P energy: -39.492 tors. eta vs tors. theta energy: -54.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -617.874875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.874875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.874875 (E_RNA) where: Base-Base interactions energy: -362.682 where: short stacking energy: -175.217 Base-Backbone interact. energy: 1.223 local terms energy: -256.416449 where: bonds (distance) C4'-P energy: -57.013 bonds (distance) P-C4' energy: -52.289 flat angles C4'-P-C4' energy: -63.325 flat angles P-C4'-P energy: -38.026 tors. eta vs tors. theta energy: -45.763 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: 9, replica: 6 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -526.052829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.052829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.052829 (E_RNA) where: Base-Base interactions energy: -307.797 where: short stacking energy: -139.813 Base-Backbone interact. energy: -1.988 local terms energy: -216.267644 where: bonds (distance) C4'-P energy: -55.204 bonds (distance) P-C4' energy: -51.447 flat angles C4'-P-C4' energy: -51.907 flat angles P-C4'-P energy: -31.944 tors. eta vs tors. theta energy: -25.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -493.056762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.056762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.056762 (E_RNA) where: Base-Base interactions energy: -293.689 where: short stacking energy: -139.961 Base-Backbone interact. energy: -0.652 local terms energy: -198.715461 where: bonds (distance) C4'-P energy: -50.163 bonds (distance) P-C4' energy: -41.956 flat angles C4'-P-C4' energy: -47.864 flat angles P-C4'-P energy: -38.523 tors. eta vs tors. theta energy: -20.210 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: 2 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -1186.454366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.454366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.454366 (E_RNA) where: Base-Base interactions energy: -822.122 where: short stacking energy: -364.328 Base-Backbone interact. energy: 0.120 local terms energy: -364.452664 where: bonds (distance) C4'-P energy: -63.673 bonds (distance) P-C4' energy: -59.406 flat angles C4'-P-C4' energy: -80.118 flat angles P-C4'-P energy: -48.386 tors. eta vs tors. theta energy: -112.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -1098.470124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.470124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.470124 (E_RNA) where: Base-Base interactions energy: -755.215 where: short stacking energy: -316.071 Base-Backbone interact. energy: -0.993 local terms energy: -342.262267 where: bonds (distance) C4'-P energy: -61.110 bonds (distance) P-C4' energy: -69.972 flat angles C4'-P-C4' energy: -65.722 flat angles P-C4'-P energy: -44.851 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: 3, replica: 3 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -1057.250108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.250108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.250108 (E_RNA) where: Base-Base interactions energy: -712.413 where: short stacking energy: -308.335 Base-Backbone interact. energy: -1.414 local terms energy: -343.422830 where: bonds (distance) C4'-P energy: -67.602 bonds (distance) P-C4' energy: -63.951 flat angles C4'-P-C4' energy: -64.880 flat angles P-C4'-P energy: -46.490 tors. eta vs tors. theta energy: -100.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -1045.845622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.845622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.845622 (E_RNA) where: Base-Base interactions energy: -710.945 where: short stacking energy: -326.606 Base-Backbone interact. energy: -0.706 local terms energy: -334.194229 where: bonds (distance) C4'-P energy: -63.095 bonds (distance) P-C4' energy: -58.652 flat angles C4'-P-C4' energy: -69.723 flat angles P-C4'-P energy: -46.286 tors. eta vs tors. theta energy: -96.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -947.218546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.218546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.218546 (E_RNA) where: Base-Base interactions energy: -646.019 where: short stacking energy: -274.868 Base-Backbone interact. energy: -0.965 local terms energy: -300.234558 where: bonds (distance) C4'-P energy: -51.677 bonds (distance) P-C4' energy: -63.536 flat angles C4'-P-C4' energy: -58.373 flat angles P-C4'-P energy: -45.706 tors. eta vs tors. theta energy: -80.942 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: 417 Temperature: 1.150000 Total energy: -822.316736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.316736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.316736 (E_RNA) where: Base-Base interactions energy: -547.772 where: short stacking energy: -263.573 Base-Backbone interact. energy: 3.720 local terms energy: -278.263840 where: bonds (distance) C4'-P energy: -53.575 bonds (distance) P-C4' energy: -53.596 flat angles C4'-P-C4' energy: -62.117 flat angles P-C4'-P energy: -39.582 tors. eta vs tors. theta energy: -69.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -704.437105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.437105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.437105 (E_RNA) where: Base-Base interactions energy: -463.027 where: short stacking energy: -204.441 Base-Backbone interact. energy: -0.571 local terms energy: -240.838799 where: bonds (distance) C4'-P energy: -52.081 bonds (distance) P-C4' energy: -57.114 flat angles C4'-P-C4' energy: -47.703 flat angles P-C4'-P energy: -31.227 tors. eta vs tors. theta energy: -52.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -626.801738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.801738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.801738 (E_RNA) where: Base-Base interactions energy: -392.365 where: short stacking energy: -181.874 Base-Backbone interact. energy: 1.169 local terms energy: -235.606570 where: bonds (distance) C4'-P energy: -45.943 bonds (distance) P-C4' energy: -61.475 flat angles C4'-P-C4' energy: -61.065 flat angles P-C4'-P energy: -32.836 tors. eta vs tors. theta energy: -34.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -514.769330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.769330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.769330 (E_RNA) where: Base-Base interactions energy: -289.652 where: short stacking energy: -145.421 Base-Backbone interact. energy: -0.225 local terms energy: -224.892399 where: bonds (distance) C4'-P energy: -57.065 bonds (distance) P-C4' energy: -61.700 flat angles C4'-P-C4' energy: -42.267 flat angles P-C4'-P energy: -34.237 tors. eta vs tors. theta energy: -29.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -498.314704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.314704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.314704 (E_RNA) where: Base-Base interactions energy: -282.653 where: short stacking energy: -145.750 Base-Backbone interact. energy: 0.521 local terms energy: -216.183110 where: bonds (distance) C4'-P energy: -52.197 bonds (distance) P-C4' energy: -48.159 flat angles C4'-P-C4' energy: -62.530 flat angles P-C4'-P energy: -22.818 tors. eta vs tors. theta energy: -30.480 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: 1, replica: 2 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -1186.997055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.997055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.997055 (E_RNA) where: Base-Base interactions energy: -817.840 where: short stacking energy: -363.573 Base-Backbone interact. energy: 0.537 local terms energy: -369.694165 where: bonds (distance) C4'-P energy: -66.434 bonds (distance) P-C4' energy: -61.074 flat angles C4'-P-C4' energy: -73.083 flat angles P-C4'-P energy: -57.713 tors. eta vs tors. theta energy: -111.391 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: 2, replica: 8 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -1117.011540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.011540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.011540 (E_RNA) where: Base-Base interactions energy: -757.985 where: short stacking energy: -317.675 Base-Backbone interact. energy: -1.736 local terms energy: -357.291120 where: bonds (distance) C4'-P energy: -69.660 bonds (distance) P-C4' energy: -64.459 flat angles C4'-P-C4' energy: -69.164 flat angles P-C4'-P energy: -52.741 tors. eta vs tors. theta energy: -101.267 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: 3 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -1057.968883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.968883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.968883 (E_RNA) where: Base-Base interactions energy: -705.952 where: short stacking energy: -311.128 Base-Backbone interact. energy: -1.968 local terms energy: -350.049243 where: bonds (distance) C4'-P energy: -61.264 bonds (distance) P-C4' energy: -65.164 flat angles C4'-P-C4' energy: -75.719 flat angles P-C4'-P energy: -51.626 tors. eta vs tors. theta energy: -96.276 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: 4 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -1019.450186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.450186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.450186 (E_RNA) where: Base-Base interactions energy: -694.156 where: short stacking energy: -301.161 Base-Backbone interact. energy: -1.825 local terms energy: -323.468977 where: bonds (distance) C4'-P energy: -57.516 bonds (distance) P-C4' energy: -57.085 flat angles C4'-P-C4' energy: -66.084 flat angles P-C4'-P energy: -50.840 tors. eta vs tors. theta energy: -91.944 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: 5, replica: 1 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -978.057142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.057142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.057142 (E_RNA) where: Base-Base interactions energy: -670.081 where: short stacking energy: -294.777 Base-Backbone interact. energy: -1.514 local terms energy: -306.462380 where: bonds (distance) C4'-P energy: -54.277 bonds (distance) P-C4' energy: -50.766 flat angles C4'-P-C4' energy: -69.934 flat angles P-C4'-P energy: -43.376 tors. eta vs tors. theta energy: -88.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -839.302943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.302943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.302943 (E_RNA) where: Base-Base interactions energy: -562.092 where: short stacking energy: -246.347 Base-Backbone interact. energy: -0.676 local terms energy: -276.535431 where: bonds (distance) C4'-P energy: -59.721 bonds (distance) P-C4' energy: -55.394 flat angles C4'-P-C4' energy: -55.950 flat angles P-C4'-P energy: -39.937 tors. eta vs tors. theta energy: -65.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -680.035386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.035386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.035386 (E_RNA) where: Base-Base interactions energy: -427.029 where: short stacking energy: -214.762 Base-Backbone interact. energy: -0.473 local terms energy: -252.533556 where: bonds (distance) C4'-P energy: -60.494 bonds (distance) P-C4' energy: -55.107 flat angles C4'-P-C4' energy: -49.455 flat angles P-C4'-P energy: -35.167 tors. eta vs tors. theta energy: -52.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -620.144258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.144258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.144258 (E_RNA) where: Base-Base interactions energy: -398.275 where: short stacking energy: -188.551 Base-Backbone interact. energy: -1.644 local terms energy: -220.225632 where: bonds (distance) C4'-P energy: -40.422 bonds (distance) P-C4' energy: -57.551 flat angles C4'-P-C4' energy: -54.323 flat angles P-C4'-P energy: -29.560 tors. eta vs tors. theta energy: -38.369 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: 7 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -533.989944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.989944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.989944 (E_RNA) where: Base-Base interactions energy: -311.804 where: short stacking energy: -160.623 Base-Backbone interact. energy: -1.356 local terms energy: -220.829905 where: bonds (distance) C4'-P energy: -54.279 bonds (distance) P-C4' energy: -64.962 flat angles C4'-P-C4' energy: -45.497 flat angles P-C4'-P energy: -29.786 tors. eta vs tors. theta energy: -26.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -462.888086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.888086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.888086 (E_RNA) where: Base-Base interactions energy: -259.052 where: short stacking energy: -142.116 Base-Backbone interact. energy: 2.888 local terms energy: -206.723973 where: bonds (distance) C4'-P energy: -57.763 bonds (distance) P-C4' energy: -54.696 flat angles C4'-P-C4' energy: -45.219 flat angles P-C4'-P energy: -34.572 tors. eta vs tors. theta energy: -14.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -1186.038742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.038742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.038742 (E_RNA) where: Base-Base interactions energy: -826.141 where: short stacking energy: -352.286 Base-Backbone interact. energy: -1.180 local terms energy: -358.717171 where: bonds (distance) C4'-P energy: -41.223 bonds (distance) P-C4' energy: -70.582 flat angles C4'-P-C4' energy: -74.867 flat angles P-C4'-P energy: -61.388 tors. eta vs tors. theta energy: -110.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -1108.290371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.290371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.290371 (E_RNA) where: Base-Base interactions energy: -772.148 where: short stacking energy: -315.695 Base-Backbone interact. energy: -1.555 local terms energy: -334.587417 where: bonds (distance) C4'-P energy: -63.791 bonds (distance) P-C4' energy: -62.317 flat angles C4'-P-C4' energy: -72.584 flat angles P-C4'-P energy: -41.358 tors. eta vs tors. theta energy: -94.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -1071.259784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.259784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.259784 (E_RNA) where: Base-Base interactions energy: -733.679 where: short stacking energy: -299.309 Base-Backbone interact. energy: -1.753 local terms energy: -335.827631 where: bonds (distance) C4'-P energy: -55.222 bonds (distance) P-C4' energy: -67.849 flat angles C4'-P-C4' energy: -66.946 flat angles P-C4'-P energy: -50.366 tors. eta vs tors. theta energy: -95.444 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: 419 Temperature: 1.050000 Total energy: -1022.612164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.612164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.612164 (E_RNA) where: Base-Base interactions energy: -708.618 where: short stacking energy: -289.093 Base-Backbone interact. energy: -2.084 local terms energy: -311.910085 where: bonds (distance) C4'-P energy: -54.846 bonds (distance) P-C4' energy: -49.326 flat angles C4'-P-C4' energy: -70.113 flat angles P-C4'-P energy: -44.556 tors. eta vs tors. theta energy: -93.069 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: 1 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -971.225556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.225556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.225556 (E_RNA) where: Base-Base interactions energy: -662.050 where: short stacking energy: -286.157 Base-Backbone interact. energy: -0.716 local terms energy: -308.459847 where: bonds (distance) C4'-P energy: -52.750 bonds (distance) P-C4' energy: -59.773 flat angles C4'-P-C4' energy: -63.219 flat angles P-C4'-P energy: -51.428 tors. eta vs tors. theta energy: -81.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -838.006618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.006618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.006618 (E_RNA) where: Base-Base interactions energy: -559.115 where: short stacking energy: -257.452 Base-Backbone interact. energy: -1.006 local terms energy: -277.885886 where: bonds (distance) C4'-P energy: -43.119 bonds (distance) P-C4' energy: -59.781 flat angles C4'-P-C4' energy: -57.280 flat angles P-C4'-P energy: -48.725 tors. eta vs tors. theta energy: -68.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -692.022653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.022653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.022653 (E_RNA) where: Base-Base interactions energy: -428.221 where: short stacking energy: -201.760 Base-Backbone interact. energy: -1.584 local terms energy: -262.218079 where: bonds (distance) C4'-P energy: -53.735 bonds (distance) P-C4' energy: -57.160 flat angles C4'-P-C4' energy: -59.575 flat angles P-C4'-P energy: -46.886 tors. eta vs tors. theta energy: -44.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -630.013750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.013750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.013750 (E_RNA) where: Base-Base interactions energy: -379.016 where: short stacking energy: -200.091 Base-Backbone interact. energy: 1.591 local terms energy: -252.588948 where: bonds (distance) C4'-P energy: -57.141 bonds (distance) P-C4' energy: -54.887 flat angles C4'-P-C4' energy: -53.998 flat angles P-C4'-P energy: -35.716 tors. eta vs tors. theta energy: -50.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -532.431430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.431430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.431430 (E_RNA) where: Base-Base interactions energy: -318.569 where: short stacking energy: -155.726 Base-Backbone interact. energy: -2.653 local terms energy: -211.209556 where: bonds (distance) C4'-P energy: -46.896 bonds (distance) P-C4' energy: -45.492 flat angles C4'-P-C4' energy: -58.478 flat angles P-C4'-P energy: -33.699 tors. eta vs tors. theta energy: -26.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -494.578680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.578680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.578680 (E_RNA) where: Base-Base interactions energy: -282.237 where: short stacking energy: -142.133 Base-Backbone interact. energy: -0.822 local terms energy: -211.520162 where: bonds (distance) C4'-P energy: -44.245 bonds (distance) P-C4' energy: -52.215 flat angles C4'-P-C4' energy: -60.643 flat angles P-C4'-P energy: -29.670 tors. eta vs tors. theta energy: -24.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -1188.993427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.993427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.993427 (E_RNA) where: Base-Base interactions energy: -821.796 where: short stacking energy: -352.849 Base-Backbone interact. energy: -0.893 local terms energy: -366.305201 where: bonds (distance) C4'-P energy: -63.815 bonds (distance) P-C4' energy: -61.922 flat angles C4'-P-C4' energy: -75.978 flat angles P-C4'-P energy: -54.642 tors. eta vs tors. theta energy: -109.948 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: 2, replica: 8 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -1097.214653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.214653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.214653 (E_RNA) where: Base-Base interactions energy: -776.344 where: short stacking energy: -318.297 Base-Backbone interact. energy: -1.019 local terms energy: -319.851221 where: bonds (distance) C4'-P energy: -61.192 bonds (distance) P-C4' energy: -53.407 flat angles C4'-P-C4' energy: -62.071 flat angles P-C4'-P energy: -47.667 tors. eta vs tors. theta energy: -95.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -1071.358727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.358727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.358727 (E_RNA) where: Base-Base interactions energy: -721.337 where: short stacking energy: -313.768 Base-Backbone interact. energy: 1.665 local terms energy: -351.686880 where: bonds (distance) C4'-P energy: -67.502 bonds (distance) P-C4' energy: -70.875 flat angles C4'-P-C4' energy: -64.835 flat angles P-C4'-P energy: -51.073 tors. eta vs tors. theta energy: -97.401 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: 4 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -1009.671490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.671490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.671490 (E_RNA) where: Base-Base interactions energy: -686.275 where: short stacking energy: -281.070 Base-Backbone interact. energy: -0.847 local terms energy: -322.549491 where: bonds (distance) C4'-P energy: -46.329 bonds (distance) P-C4' energy: -67.919 flat angles C4'-P-C4' energy: -63.912 flat angles P-C4'-P energy: -50.088 tors. eta vs tors. theta energy: -94.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -972.608516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.608516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.608516 (E_RNA) where: Base-Base interactions energy: -672.323 where: short stacking energy: -294.211 Base-Backbone interact. energy: -1.041 local terms energy: -299.245098 where: bonds (distance) C4'-P energy: -46.260 bonds (distance) P-C4' energy: -63.903 flat angles C4'-P-C4' energy: -61.450 flat angles P-C4'-P energy: -39.437 tors. eta vs tors. theta energy: -88.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -870.547582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.547582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.547582 (E_RNA) where: Base-Base interactions energy: -577.600 where: short stacking energy: -243.701 Base-Backbone interact. energy: -1.307 local terms energy: -291.641203 where: bonds (distance) C4'-P energy: -55.789 bonds (distance) P-C4' energy: -57.335 flat angles C4'-P-C4' energy: -61.915 flat angles P-C4'-P energy: -45.614 tors. eta vs tors. theta energy: -70.988 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: 7, replica: 9 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -777.366272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.366272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.366272 (E_RNA) where: Base-Base interactions energy: -514.557 where: short stacking energy: -222.947 Base-Backbone interact. energy: -0.417 local terms energy: -262.392659 where: bonds (distance) C4'-P energy: -52.882 bonds (distance) P-C4' energy: -61.208 flat angles C4'-P-C4' energy: -61.493 flat angles P-C4'-P energy: -36.567 tors. eta vs tors. theta energy: -50.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -652.251894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.251894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.251894 (E_RNA) where: Base-Base interactions energy: -400.091 where: short stacking energy: -187.524 Base-Backbone interact. energy: 0.633 local terms energy: -252.794536 where: bonds (distance) C4'-P energy: -52.895 bonds (distance) P-C4' energy: -59.089 flat angles C4'-P-C4' energy: -56.920 flat angles P-C4'-P energy: -38.401 tors. eta vs tors. theta energy: -45.491 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: 9, replica: 6 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -561.483183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.483183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.483183 (E_RNA) where: Base-Base interactions energy: -354.361 where: short stacking energy: -149.847 Base-Backbone interact. energy: -2.505 local terms energy: -204.617826 where: bonds (distance) C4'-P energy: -44.693 bonds (distance) P-C4' energy: -56.989 flat angles C4'-P-C4' energy: -48.052 flat angles P-C4'-P energy: -22.124 tors. eta vs tors. theta energy: -32.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -503.430933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.430933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.430933 (E_RNA) where: Base-Base interactions energy: -311.898 where: short stacking energy: -138.191 Base-Backbone interact. energy: 1.776 local terms energy: -193.308508 where: bonds (distance) C4'-P energy: -43.169 bonds (distance) P-C4' energy: -45.836 flat angles C4'-P-C4' energy: -48.037 flat angles P-C4'-P energy: -32.797 tors. eta vs tors. theta energy: -23.471 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: 2 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -1188.980979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.980979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.980979 (E_RNA) where: Base-Base interactions energy: -814.834 where: short stacking energy: -360.288 Base-Backbone interact. energy: -0.149 local terms energy: -373.997873 where: bonds (distance) C4'-P energy: -63.138 bonds (distance) P-C4' energy: -67.493 flat angles C4'-P-C4' energy: -75.023 flat angles P-C4'-P energy: -53.290 tors. eta vs tors. theta energy: -115.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -1094.565213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.565213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.565213 (E_RNA) where: Base-Base interactions energy: -757.217 where: short stacking energy: -324.623 Base-Backbone interact. energy: -1.322 local terms energy: -336.026332 where: bonds (distance) C4'-P energy: -67.180 bonds (distance) P-C4' energy: -68.856 flat angles C4'-P-C4' energy: -67.871 flat angles P-C4'-P energy: -37.685 tors. eta vs tors. theta energy: -94.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -1064.352201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.352201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.352201 (E_RNA) where: Base-Base interactions energy: -724.527 where: short stacking energy: -316.484 Base-Backbone interact. energy: -0.439 local terms energy: -339.386874 where: bonds (distance) C4'-P energy: -64.366 bonds (distance) P-C4' energy: -58.556 flat angles C4'-P-C4' energy: -71.728 flat angles P-C4'-P energy: -49.639 tors. eta vs tors. theta energy: -95.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -987.690933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.690933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.690933 (E_RNA) where: Base-Base interactions energy: -664.547 where: short stacking energy: -293.127 Base-Backbone interact. energy: -0.025 local terms energy: -323.119142 where: bonds (distance) C4'-P energy: -53.022 bonds (distance) P-C4' energy: -61.765 flat angles C4'-P-C4' energy: -71.445 flat angles P-C4'-P energy: -48.851 tors. eta vs tors. theta energy: -88.036 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: 4 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -984.039256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.039256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.039256 (E_RNA) where: Base-Base interactions energy: -674.855 where: short stacking energy: -304.602 Base-Backbone interact. energy: -0.843 local terms energy: -308.341810 where: bonds (distance) C4'-P energy: -54.659 bonds (distance) P-C4' energy: -59.168 flat angles C4'-P-C4' energy: -66.171 flat angles P-C4'-P energy: -39.612 tors. eta vs tors. theta energy: -88.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -890.216805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.216805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.216805 (E_RNA) where: Base-Base interactions energy: -608.632 where: short stacking energy: -260.221 Base-Backbone interact. energy: -0.835 local terms energy: -280.749116 where: bonds (distance) C4'-P energy: -48.744 bonds (distance) P-C4' energy: -55.947 flat angles C4'-P-C4' energy: -60.232 flat angles P-C4'-P energy: -40.432 tors. eta vs tors. theta energy: -75.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -748.893391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.893391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.893391 (E_RNA) where: Base-Base interactions energy: -508.393 where: short stacking energy: -226.509 Base-Backbone interact. energy: -1.143 local terms energy: -239.357233 where: bonds (distance) C4'-P energy: -53.982 bonds (distance) P-C4' energy: -50.399 flat angles C4'-P-C4' energy: -49.748 flat angles P-C4'-P energy: -37.090 tors. eta vs tors. theta energy: -48.137 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: 5 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -651.721872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.721872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.721872 (E_RNA) where: Base-Base interactions energy: -409.902 where: short stacking energy: -203.883 Base-Backbone interact. energy: -0.039 local terms energy: -241.780442 where: bonds (distance) C4'-P energy: -54.252 bonds (distance) P-C4' energy: -45.463 flat angles C4'-P-C4' energy: -49.172 flat angles P-C4'-P energy: -37.888 tors. eta vs tors. theta energy: -55.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -552.247312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.247312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.247312 (E_RNA) where: Base-Base interactions energy: -349.062 where: short stacking energy: -152.728 Base-Backbone interact. energy: -1.475 local terms energy: -201.710491 where: bonds (distance) C4'-P energy: -47.234 bonds (distance) P-C4' energy: -60.513 flat angles C4'-P-C4' energy: -36.840 flat angles P-C4'-P energy: -31.055 tors. eta vs tors. theta energy: -26.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -518.974740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.974740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.974740 (E_RNA) where: Base-Base interactions energy: -311.381 where: short stacking energy: -136.171 Base-Backbone interact. energy: -1.018 local terms energy: -206.576056 where: bonds (distance) C4'-P energy: -45.329 bonds (distance) P-C4' energy: -49.464 flat angles C4'-P-C4' energy: -57.022 flat angles P-C4'-P energy: -27.041 tors. eta vs tors. theta energy: -27.720 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: 2 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -1189.995478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.995478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.995478 (E_RNA) where: Base-Base interactions energy: -823.202 where: short stacking energy: -367.514 Base-Backbone interact. energy: -1.655 local terms energy: -365.138551 where: bonds (distance) C4'-P energy: -57.875 bonds (distance) P-C4' energy: -69.487 flat angles C4'-P-C4' energy: -72.350 flat angles P-C4'-P energy: -52.194 tors. eta vs tors. theta energy: -113.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -1074.835227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.835227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.835227 (E_RNA) where: Base-Base interactions energy: -739.515 where: short stacking energy: -308.947 Base-Backbone interact. energy: -1.519 local terms energy: -333.801201 where: bonds (distance) C4'-P energy: -64.037 bonds (distance) P-C4' energy: -67.385 flat angles C4'-P-C4' energy: -69.389 flat angles P-C4'-P energy: -44.606 tors. eta vs tors. theta energy: -88.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -1049.045281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.045281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.045281 (E_RNA) where: Base-Base interactions energy: -698.082 where: short stacking energy: -290.979 Base-Backbone interact. energy: -0.236 local terms energy: -350.727101 where: bonds (distance) C4'-P energy: -69.827 bonds (distance) P-C4' energy: -67.832 flat angles C4'-P-C4' energy: -72.002 flat angles P-C4'-P energy: -52.557 tors. eta vs tors. theta energy: -88.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -980.968578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.968578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.968578 (E_RNA) where: Base-Base interactions energy: -669.166 where: short stacking energy: -293.958 Base-Backbone interact. energy: -2.154 local terms energy: -309.648273 where: bonds (distance) C4'-P energy: -55.498 bonds (distance) P-C4' energy: -51.851 flat angles C4'-P-C4' energy: -69.929 flat angles P-C4'-P energy: -44.923 tors. eta vs tors. theta energy: -87.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -982.542254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.542254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.542254 (E_RNA) where: Base-Base interactions energy: -672.171 where: short stacking energy: -294.321 Base-Backbone interact. energy: -0.134 local terms energy: -310.236612 where: bonds (distance) C4'-P energy: -59.389 bonds (distance) P-C4' energy: -54.217 flat angles C4'-P-C4' energy: -69.537 flat angles P-C4'-P energy: -39.039 tors. eta vs tors. theta energy: -88.055 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: 10 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -846.414626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.414626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.414626 (E_RNA) where: Base-Base interactions energy: -582.784 where: short stacking energy: -277.440 Base-Backbone interact. energy: 0.346 local terms energy: -263.976349 where: bonds (distance) C4'-P energy: -48.528 bonds (distance) P-C4' energy: -37.806 flat angles C4'-P-C4' energy: -65.101 flat angles P-C4'-P energy: -28.986 tors. eta vs tors. theta energy: -83.555 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: 422 Temperature: 1.200000 Total energy: -731.389807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.389807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.389807 (E_RNA) where: Base-Base interactions energy: -483.422 where: short stacking energy: -224.670 Base-Backbone interact. energy: 0.217 local terms energy: -248.185431 where: bonds (distance) C4'-P energy: -49.867 bonds (distance) P-C4' energy: -61.657 flat angles C4'-P-C4' energy: -58.655 flat angles P-C4'-P energy: -29.240 tors. eta vs tors. theta energy: -48.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -624.303389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.303389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.303389 (E_RNA) where: Base-Base interactions energy: -399.992 where: short stacking energy: -182.146 Base-Backbone interact. energy: -0.667 local terms energy: -223.644203 where: bonds (distance) C4'-P energy: -53.443 bonds (distance) P-C4' energy: -42.146 flat angles C4'-P-C4' energy: -53.790 flat angles P-C4'-P energy: -33.601 tors. eta vs tors. theta energy: -40.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -519.342055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.342055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.342055 (E_RNA) where: Base-Base interactions energy: -312.831 where: short stacking energy: -126.496 Base-Backbone interact. energy: 6.123 local terms energy: -212.634304 where: bonds (distance) C4'-P energy: -44.410 bonds (distance) P-C4' energy: -46.768 flat angles C4'-P-C4' energy: -61.224 flat angles P-C4'-P energy: -39.423 tors. eta vs tors. theta energy: -20.808 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: 10, replica: 6 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -505.633401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.633401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.633401 (E_RNA) where: Base-Base interactions energy: -291.743 where: short stacking energy: -133.592 Base-Backbone interact. energy: 0.141 local terms energy: -214.030932 where: bonds (distance) C4'-P energy: -63.838 bonds (distance) P-C4' energy: -43.811 flat angles C4'-P-C4' energy: -48.215 flat angles P-C4'-P energy: -37.343 tors. eta vs tors. theta energy: -20.824 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: 2 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -1193.682893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.682893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.682893 (E_RNA) where: Base-Base interactions energy: -815.397 where: short stacking energy: -360.235 Base-Backbone interact. energy: -1.219 local terms energy: -377.066635 where: bonds (distance) C4'-P energy: -72.960 bonds (distance) P-C4' energy: -65.858 flat angles C4'-P-C4' energy: -72.825 flat angles P-C4'-P energy: -55.803 tors. eta vs tors. theta energy: -109.620 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: 8 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -1089.291786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.291786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.291786 (E_RNA) where: Base-Base interactions energy: -752.729 where: short stacking energy: -314.937 Base-Backbone interact. energy: -1.663 local terms energy: -334.900163 where: bonds (distance) C4'-P energy: -60.789 bonds (distance) P-C4' energy: -63.180 flat angles C4'-P-C4' energy: -67.888 flat angles P-C4'-P energy: -48.823 tors. eta vs tors. theta energy: -94.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -1036.562085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.562085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.562085 (E_RNA) where: Base-Base interactions energy: -724.484 where: short stacking energy: -314.084 Base-Backbone interact. energy: -1.134 local terms energy: -310.944472 where: bonds (distance) C4'-P energy: -57.749 bonds (distance) P-C4' energy: -51.906 flat angles C4'-P-C4' energy: -67.467 flat angles P-C4'-P energy: -39.904 tors. eta vs tors. theta energy: -93.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -993.623362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.623362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.623362 (E_RNA) where: Base-Base interactions energy: -659.822 where: short stacking energy: -295.678 Base-Backbone interact. energy: 0.110 local terms energy: -333.910575 where: bonds (distance) C4'-P energy: -59.591 bonds (distance) P-C4' energy: -64.186 flat angles C4'-P-C4' energy: -70.128 flat angles P-C4'-P energy: -45.406 tors. eta vs tors. theta energy: -94.600 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: 1 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -972.197821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.197821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.197821 (E_RNA) where: Base-Base interactions energy: -650.891 where: short stacking energy: -289.404 Base-Backbone interact. energy: -0.757 local terms energy: -320.550581 where: bonds (distance) C4'-P energy: -57.771 bonds (distance) P-C4' energy: -62.370 flat angles C4'-P-C4' energy: -69.481 flat angles P-C4'-P energy: -38.410 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: 6, replica: 10 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -832.164772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.164772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.164772 (E_RNA) where: Base-Base interactions energy: -540.326 where: short stacking energy: -239.771 Base-Backbone interact. energy: 2.284 local terms energy: -294.123353 where: bonds (distance) C4'-P energy: -57.950 bonds (distance) P-C4' energy: -61.303 flat angles C4'-P-C4' energy: -60.469 flat angles P-C4'-P energy: -43.936 tors. eta vs tors. theta energy: -70.465 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: 9 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -745.480181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.480181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.480181 (E_RNA) where: Base-Base interactions energy: -477.351 where: short stacking energy: -220.569 Base-Backbone interact. energy: -1.165 local terms energy: -266.964058 where: bonds (distance) C4'-P energy: -56.231 bonds (distance) P-C4' energy: -53.814 flat angles C4'-P-C4' energy: -62.774 flat angles P-C4'-P energy: -29.699 tors. eta vs tors. theta energy: -64.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -622.288711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.288711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.288711 (E_RNA) where: Base-Base interactions energy: -370.388 where: short stacking energy: -176.531 Base-Backbone interact. energy: -0.702 local terms energy: -251.199249 where: bonds (distance) C4'-P energy: -59.071 bonds (distance) P-C4' energy: -59.191 flat angles C4'-P-C4' energy: -59.540 flat angles P-C4'-P energy: -35.230 tors. eta vs tors. theta energy: -38.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -503.419887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.419887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.419887 (E_RNA) where: Base-Base interactions energy: -272.158 where: short stacking energy: -137.256 Base-Backbone interact. energy: -1.601 local terms energy: -229.661418 where: bonds (distance) C4'-P energy: -50.690 bonds (distance) P-C4' energy: -56.716 flat angles C4'-P-C4' energy: -57.778 flat angles P-C4'-P energy: -41.663 tors. eta vs tors. theta energy: -22.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -525.777620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.777620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.777620 (E_RNA) where: Base-Base interactions energy: -323.412 where: short stacking energy: -143.406 Base-Backbone interact. energy: -0.187 local terms energy: -202.178910 where: bonds (distance) C4'-P energy: -57.115 bonds (distance) P-C4' energy: -50.471 flat angles C4'-P-C4' energy: -49.930 flat angles P-C4'-P energy: -23.359 tors. eta vs tors. theta energy: -21.305 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: 2 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -1186.839153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.839153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.839153 (E_RNA) where: Base-Base interactions energy: -828.649 where: short stacking energy: -362.342 Base-Backbone interact. energy: -0.808 local terms energy: -357.382257 where: bonds (distance) C4'-P energy: -54.007 bonds (distance) P-C4' energy: -69.968 flat angles C4'-P-C4' energy: -69.449 flat angles P-C4'-P energy: -51.887 tors. eta vs tors. theta energy: -112.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -1091.542469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.542469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.542469 (E_RNA) where: Base-Base interactions energy: -749.389 where: short stacking energy: -322.004 Base-Backbone interact. energy: -1.051 local terms energy: -341.101848 where: bonds (distance) C4'-P energy: -63.946 bonds (distance) P-C4' energy: -64.174 flat angles C4'-P-C4' energy: -71.170 flat angles P-C4'-P energy: -46.309 tors. eta vs tors. theta energy: -95.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -1023.965681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.965681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.965681 (E_RNA) where: Base-Base interactions energy: -678.947 where: short stacking energy: -305.651 Base-Backbone interact. energy: -1.152 local terms energy: -343.866468 where: bonds (distance) C4'-P energy: -61.877 bonds (distance) P-C4' energy: -55.713 flat angles C4'-P-C4' energy: -76.955 flat angles P-C4'-P energy: -54.447 tors. eta vs tors. theta energy: -94.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -985.920088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.920088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.920088 (E_RNA) where: Base-Base interactions energy: -653.748 where: short stacking energy: -282.896 Base-Backbone interact. energy: -1.067 local terms energy: -331.104876 where: bonds (distance) C4'-P energy: -67.332 bonds (distance) P-C4' energy: -66.068 flat angles C4'-P-C4' energy: -74.416 flat angles P-C4'-P energy: -34.544 tors. eta vs tors. theta energy: -88.745 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: 1 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -961.991580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.991580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.991580 (E_RNA) where: Base-Base interactions energy: -655.765 where: short stacking energy: -292.738 Base-Backbone interact. energy: -1.545 local terms energy: -304.681629 where: bonds (distance) C4'-P energy: -50.965 bonds (distance) P-C4' energy: -56.410 flat angles C4'-P-C4' energy: -62.970 flat angles P-C4'-P energy: -41.475 tors. eta vs tors. theta energy: -92.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -845.246088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.246088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.246088 (E_RNA) where: Base-Base interactions energy: -560.737 where: short stacking energy: -246.659 Base-Backbone interact. energy: -1.231 local terms energy: -283.278456 where: bonds (distance) C4'-P energy: -55.905 bonds (distance) P-C4' energy: -57.964 flat angles C4'-P-C4' energy: -68.405 flat angles P-C4'-P energy: -37.344 tors. eta vs tors. theta energy: -63.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -726.785163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.785163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.785163 (E_RNA) where: Base-Base interactions energy: -479.248 where: short stacking energy: -211.345 Base-Backbone interact. energy: -0.331 local terms energy: -247.206817 where: bonds (distance) C4'-P energy: -53.238 bonds (distance) P-C4' energy: -56.792 flat angles C4'-P-C4' energy: -61.696 flat angles P-C4'-P energy: -31.964 tors. eta vs tors. theta energy: -43.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -605.853976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.853976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.853976 (E_RNA) where: Base-Base interactions energy: -358.543 where: short stacking energy: -164.743 Base-Backbone interact. energy: -0.716 local terms energy: -246.594973 where: bonds (distance) C4'-P energy: -52.071 bonds (distance) P-C4' energy: -54.747 flat angles C4'-P-C4' energy: -57.390 flat angles P-C4'-P energy: -47.252 tors. eta vs tors. theta energy: -35.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -563.211787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.211787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.211787 (E_RNA) where: Base-Base interactions energy: -365.123 where: short stacking energy: -166.621 Base-Backbone interact. energy: -0.608 local terms energy: -197.480381 where: bonds (distance) C4'-P energy: -56.501 bonds (distance) P-C4' energy: -50.322 flat angles C4'-P-C4' energy: -39.371 flat angles P-C4'-P energy: -28.161 tors. eta vs tors. theta energy: -23.126 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: 6 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -492.612009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.612009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.612009 (E_RNA) where: Base-Base interactions energy: -281.693 where: short stacking energy: -130.847 Base-Backbone interact. energy: 0.877 local terms energy: -211.795454 where: bonds (distance) C4'-P energy: -57.040 bonds (distance) P-C4' energy: -69.350 flat angles C4'-P-C4' energy: -43.023 flat angles P-C4'-P energy: -24.634 tors. eta vs tors. theta energy: -17.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -1169.869969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.869969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.869969 (E_RNA) where: Base-Base interactions energy: -818.029 where: short stacking energy: -353.395 Base-Backbone interact. energy: 1.084 local terms energy: -352.924609 where: bonds (distance) C4'-P energy: -52.430 bonds (distance) P-C4' energy: -66.796 flat angles C4'-P-C4' energy: -75.003 flat angles P-C4'-P energy: -53.597 tors. eta vs tors. theta energy: -105.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -1118.061495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.061495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.061495 (E_RNA) where: Base-Base interactions energy: -762.504 where: short stacking energy: -322.138 Base-Backbone interact. energy: 1.063 local terms energy: -356.621131 where: bonds (distance) C4'-P energy: -65.829 bonds (distance) P-C4' energy: -68.940 flat angles C4'-P-C4' energy: -71.369 flat angles P-C4'-P energy: -48.392 tors. eta vs tors. theta energy: -102.091 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: 425 Temperature: 1.000000 Total energy: -1029.554052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.554052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.554052 (E_RNA) where: Base-Base interactions energy: -702.454 where: short stacking energy: -301.286 Base-Backbone interact. energy: 1.283 local terms energy: -328.383001 where: bonds (distance) C4'-P energy: -64.827 bonds (distance) P-C4' energy: -59.351 flat angles C4'-P-C4' energy: -68.814 flat angles P-C4'-P energy: -44.857 tors. eta vs tors. theta energy: -90.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -984.812444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.812444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.812444 (E_RNA) where: Base-Base interactions energy: -672.099 where: short stacking energy: -278.903 Base-Backbone interact. energy: -0.906 local terms energy: -311.807450 where: bonds (distance) C4'-P energy: -58.612 bonds (distance) P-C4' energy: -59.717 flat angles C4'-P-C4' energy: -70.474 flat angles P-C4'-P energy: -47.585 tors. eta vs tors. theta energy: -75.419 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: 1 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -982.202465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.202465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.202465 (E_RNA) where: Base-Base interactions energy: -658.755 where: short stacking energy: -292.261 Base-Backbone interact. energy: -1.589 local terms energy: -321.857955 where: bonds (distance) C4'-P energy: -54.437 bonds (distance) P-C4' energy: -60.086 flat angles C4'-P-C4' energy: -73.135 flat angles P-C4'-P energy: -41.043 tors. eta vs tors. theta energy: -93.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -809.196069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.196069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.196069 (E_RNA) where: Base-Base interactions energy: -545.019 where: short stacking energy: -235.129 Base-Backbone interact. energy: -1.558 local terms energy: -262.618574 where: bonds (distance) C4'-P energy: -44.929 bonds (distance) P-C4' energy: -55.932 flat angles C4'-P-C4' energy: -65.481 flat angles P-C4'-P energy: -38.141 tors. eta vs tors. theta energy: -58.137 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: 7, replica: 9 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -725.036147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.036147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.036147 (E_RNA) where: Base-Base interactions energy: -460.771 where: short stacking energy: -196.653 Base-Backbone interact. energy: -1.942 local terms energy: -262.323586 where: bonds (distance) C4'-P energy: -58.955 bonds (distance) P-C4' energy: -63.333 flat angles C4'-P-C4' energy: -58.912 flat angles P-C4'-P energy: -28.604 tors. eta vs tors. theta energy: -52.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -587.386716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.386716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.386716 (E_RNA) where: Base-Base interactions energy: -362.762 where: short stacking energy: -175.264 Base-Backbone interact. energy: 0.122 local terms energy: -224.746742 where: bonds (distance) C4'-P energy: -50.669 bonds (distance) P-C4' energy: -63.786 flat angles C4'-P-C4' energy: -59.551 flat angles P-C4'-P energy: -24.171 tors. eta vs tors. theta energy: -26.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -569.435674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.435674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.435674 (E_RNA) where: Base-Base interactions energy: -347.876 where: short stacking energy: -167.647 Base-Backbone interact. energy: -0.213 local terms energy: -221.347089 where: bonds (distance) C4'-P energy: -50.869 bonds (distance) P-C4' energy: -45.317 flat angles C4'-P-C4' energy: -52.690 flat angles P-C4'-P energy: -38.303 tors. eta vs tors. theta energy: -34.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -503.076418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.076418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.076418 (E_RNA) where: Base-Base interactions energy: -288.039 where: short stacking energy: -148.112 Base-Backbone interact. energy: 1.074 local terms energy: -216.111413 where: bonds (distance) C4'-P energy: -51.363 bonds (distance) P-C4' energy: -57.157 flat angles C4'-P-C4' energy: -54.441 flat angles P-C4'-P energy: -30.419 tors. eta vs tors. theta energy: -22.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -1186.243136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.243136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.243136 (E_RNA) where: Base-Base interactions energy: -831.376 where: short stacking energy: -363.712 Base-Backbone interact. energy: -1.024 local terms energy: -353.843425 where: bonds (distance) C4'-P energy: -61.495 bonds (distance) P-C4' energy: -61.509 flat angles C4'-P-C4' energy: -67.621 flat angles P-C4'-P energy: -52.265 tors. eta vs tors. theta energy: -110.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -1108.150706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.150706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.150706 (E_RNA) where: Base-Base interactions energy: -755.411 where: short stacking energy: -327.994 Base-Backbone interact. energy: -1.400 local terms energy: -351.339540 where: bonds (distance) C4'-P energy: -64.647 bonds (distance) P-C4' energy: -61.314 flat angles C4'-P-C4' energy: -77.287 flat angles P-C4'-P energy: -42.705 tors. eta vs tors. theta energy: -105.386 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: 426 Temperature: 1.000000 Total energy: -1044.075711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.075711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.075711 (E_RNA) where: Base-Base interactions energy: -694.070 where: short stacking energy: -301.401 Base-Backbone interact. energy: -0.561 local terms energy: -349.444432 where: bonds (distance) C4'-P energy: -67.762 bonds (distance) P-C4' energy: -62.522 flat angles C4'-P-C4' energy: -75.072 flat angles P-C4'-P energy: -50.350 tors. eta vs tors. theta energy: -93.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -980.115169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.115169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.115169 (E_RNA) where: Base-Base interactions energy: -662.221 where: short stacking energy: -297.095 Base-Backbone interact. energy: -1.779 local terms energy: -316.115276 where: bonds (distance) C4'-P energy: -57.768 bonds (distance) P-C4' energy: -52.969 flat angles C4'-P-C4' energy: -68.578 flat angles P-C4'-P energy: -46.922 tors. eta vs tors. theta energy: -89.878 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: 5, replica: 1 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -972.269164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.269164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.269164 (E_RNA) where: Base-Base interactions energy: -648.213 where: short stacking energy: -292.051 Base-Backbone interact. energy: -0.745 local terms energy: -323.311268 where: bonds (distance) C4'-P energy: -65.384 bonds (distance) P-C4' energy: -58.131 flat angles C4'-P-C4' energy: -70.265 flat angles P-C4'-P energy: -48.782 tors. eta vs tors. theta energy: -80.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -812.363035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.363035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.363035 (E_RNA) where: Base-Base interactions energy: -530.635 where: short stacking energy: -240.522 Base-Backbone interact. energy: -1.853 local terms energy: -279.874809 where: bonds (distance) C4'-P energy: -49.835 bonds (distance) P-C4' energy: -54.881 flat angles C4'-P-C4' energy: -65.856 flat angles P-C4'-P energy: -43.431 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: 7, replica: 9 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -733.513491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.513491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.513491 (E_RNA) where: Base-Base interactions energy: -477.899 where: short stacking energy: -203.344 Base-Backbone interact. energy: -0.711 local terms energy: -254.903456 where: bonds (distance) C4'-P energy: -52.835 bonds (distance) P-C4' energy: -50.789 flat angles C4'-P-C4' energy: -57.258 flat angles P-C4'-P energy: -49.049 tors. eta vs tors. theta energy: -44.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -614.423856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.423856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.423856 (E_RNA) where: Base-Base interactions energy: -366.827 where: short stacking energy: -173.210 Base-Backbone interact. energy: 0.539 local terms energy: -248.135502 where: bonds (distance) C4'-P energy: -50.331 bonds (distance) P-C4' energy: -61.187 flat angles C4'-P-C4' energy: -60.925 flat angles P-C4'-P energy: -41.371 tors. eta vs tors. theta energy: -34.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -608.696442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.696442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.696442 (E_RNA) where: Base-Base interactions energy: -385.376 where: short stacking energy: -177.227 Base-Backbone interact. energy: -0.493 local terms energy: -222.828333 where: bonds (distance) C4'-P energy: -46.530 bonds (distance) P-C4' energy: -52.929 flat angles C4'-P-C4' energy: -47.824 flat angles P-C4'-P energy: -36.589 tors. eta vs tors. theta energy: -38.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -471.296519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.296519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.296519 (E_RNA) where: Base-Base interactions energy: -261.904 where: short stacking energy: -135.914 Base-Backbone interact. energy: -2.827 local terms energy: -206.565127 where: bonds (distance) C4'-P energy: -40.274 bonds (distance) P-C4' energy: -65.664 flat angles C4'-P-C4' energy: -49.140 flat angles P-C4'-P energy: -25.468 tors. eta vs tors. theta energy: -26.019 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: 2 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -1186.567709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.567709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.567709 (E_RNA) where: Base-Base interactions energy: -818.656 where: short stacking energy: -362.196 Base-Backbone interact. energy: -1.482 local terms energy: -366.429291 where: bonds (distance) C4'-P energy: -58.504 bonds (distance) P-C4' energy: -65.192 flat angles C4'-P-C4' energy: -75.726 flat angles P-C4'-P energy: -52.717 tors. eta vs tors. theta energy: -114.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -1093.736320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.736320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.736320 (E_RNA) where: Base-Base interactions energy: -746.000 where: short stacking energy: -311.433 Base-Backbone interact. energy: -2.811 local terms energy: -344.924925 where: bonds (distance) C4'-P energy: -65.984 bonds (distance) P-C4' energy: -63.969 flat angles C4'-P-C4' energy: -74.133 flat angles P-C4'-P energy: -45.140 tors. eta vs tors. theta energy: -95.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -1043.867520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.867520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.867520 (E_RNA) where: Base-Base interactions energy: -712.557 where: short stacking energy: -314.593 Base-Backbone interact. energy: -1.624 local terms energy: -329.686420 where: bonds (distance) C4'-P energy: -57.842 bonds (distance) P-C4' energy: -57.593 flat angles C4'-P-C4' energy: -72.291 flat angles P-C4'-P energy: -48.810 tors. eta vs tors. theta energy: -93.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -970.509694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.509694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.509694 (E_RNA) where: Base-Base interactions energy: -654.263 where: short stacking energy: -291.523 Base-Backbone interact. energy: 0.884 local terms energy: -317.129821 where: bonds (distance) C4'-P energy: -65.296 bonds (distance) P-C4' energy: -64.840 flat angles C4'-P-C4' energy: -61.127 flat angles P-C4'-P energy: -44.168 tors. eta vs tors. theta energy: -81.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -951.669496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.669496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.669496 (E_RNA) where: Base-Base interactions energy: -652.970 where: short stacking energy: -301.218 Base-Backbone interact. energy: 2.060 local terms energy: -300.759258 where: bonds (distance) C4'-P energy: -60.699 bonds (distance) P-C4' energy: -65.727 flat angles C4'-P-C4' energy: -57.612 flat angles P-C4'-P energy: -34.086 tors. eta vs tors. theta energy: -82.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -815.537680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.537680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.537680 (E_RNA) where: Base-Base interactions energy: -523.867 where: short stacking energy: -225.083 Base-Backbone interact. energy: -1.421 local terms energy: -290.249485 where: bonds (distance) C4'-P energy: -59.809 bonds (distance) P-C4' energy: -66.127 flat angles C4'-P-C4' energy: -68.831 flat angles P-C4'-P energy: -39.712 tors. eta vs tors. theta energy: -55.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -733.959615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.959615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.959615 (E_RNA) where: Base-Base interactions energy: -478.846 where: short stacking energy: -208.143 Base-Backbone interact. energy: -1.601 local terms energy: -253.511937 where: bonds (distance) C4'-P energy: -54.151 bonds (distance) P-C4' energy: -53.863 flat angles C4'-P-C4' energy: -52.722 flat angles P-C4'-P energy: -34.812 tors. eta vs tors. theta energy: -57.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -637.541191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.541191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.541191 (E_RNA) where: Base-Base interactions energy: -399.381 where: short stacking energy: -179.054 Base-Backbone interact. energy: -1.748 local terms energy: -236.412509 where: bonds (distance) C4'-P energy: -52.336 bonds (distance) P-C4' energy: -48.433 flat angles C4'-P-C4' energy: -57.774 flat angles P-C4'-P energy: -31.356 tors. eta vs tors. theta energy: -46.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -580.668698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.668698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.668698 (E_RNA) where: Base-Base interactions energy: -352.496 where: short stacking energy: -140.791 Base-Backbone interact. energy: -0.127 local terms energy: -228.046115 where: bonds (distance) C4'-P energy: -58.027 bonds (distance) P-C4' energy: -54.465 flat angles C4'-P-C4' energy: -53.211 flat angles P-C4'-P energy: -34.083 tors. eta vs tors. theta energy: -28.259 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: 6 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -468.979472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.979472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.979472 (E_RNA) where: Base-Base interactions energy: -273.564 where: short stacking energy: -142.478 Base-Backbone interact. energy: 1.356 local terms energy: -196.772060 where: bonds (distance) C4'-P energy: -46.856 bonds (distance) P-C4' energy: -55.151 flat angles C4'-P-C4' energy: -35.415 flat angles P-C4'-P energy: -33.087 tors. eta vs tors. theta energy: -26.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -1175.504681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.504681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.504681 (E_RNA) where: Base-Base interactions energy: -804.469 where: short stacking energy: -349.541 Base-Backbone interact. energy: -0.853 local terms energy: -370.181839 where: bonds (distance) C4'-P energy: -66.388 bonds (distance) P-C4' energy: -68.949 flat angles C4'-P-C4' energy: -74.320 flat angles P-C4'-P energy: -47.689 tors. eta vs tors. theta energy: -112.836 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: 2, replica: 8 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -1119.091510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.091510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.091510 (E_RNA) where: Base-Base interactions energy: -768.030 where: short stacking energy: -335.875 Base-Backbone interact. energy: -1.556 local terms energy: -349.504866 where: bonds (distance) C4'-P energy: -59.654 bonds (distance) P-C4' energy: -62.921 flat angles C4'-P-C4' energy: -71.502 flat angles P-C4'-P energy: -50.892 tors. eta vs tors. theta energy: -104.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -1050.329635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.329635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.329635 (E_RNA) where: Base-Base interactions energy: -720.158 where: short stacking energy: -307.080 Base-Backbone interact. energy: -0.647 local terms energy: -329.524419 where: bonds (distance) C4'-P energy: -53.014 bonds (distance) P-C4' energy: -63.950 flat angles C4'-P-C4' energy: -66.575 flat angles P-C4'-P energy: -50.971 tors. eta vs tors. theta energy: -95.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -996.306510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.306510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.306510 (E_RNA) where: Base-Base interactions energy: -686.165 where: short stacking energy: -312.867 Base-Backbone interact. energy: -0.666 local terms energy: -309.475140 where: bonds (distance) C4'-P energy: -55.964 bonds (distance) P-C4' energy: -56.551 flat angles C4'-P-C4' energy: -68.464 flat angles P-C4'-P energy: -43.767 tors. eta vs tors. theta energy: -84.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -950.464901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.464901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.464901 (E_RNA) where: Base-Base interactions energy: -636.135 where: short stacking energy: -258.171 Base-Backbone interact. energy: -1.050 local terms energy: -313.280108 where: bonds (distance) C4'-P energy: -63.999 bonds (distance) P-C4' energy: -59.367 flat angles C4'-P-C4' energy: -66.845 flat angles P-C4'-P energy: -37.330 tors. eta vs tors. theta energy: -85.739 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: 10 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -817.931168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.931168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.931168 (E_RNA) where: Base-Base interactions energy: -520.658 where: short stacking energy: -250.258 Base-Backbone interact. energy: -1.385 local terms energy: -295.888739 where: bonds (distance) C4'-P energy: -51.049 bonds (distance) P-C4' energy: -54.988 flat angles C4'-P-C4' energy: -66.356 flat angles P-C4'-P energy: -44.867 tors. eta vs tors. theta energy: -78.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -745.594187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.594187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.594187 (E_RNA) where: Base-Base interactions energy: -468.175 where: short stacking energy: -214.040 Base-Backbone interact. energy: 1.167 local terms energy: -278.585803 where: bonds (distance) C4'-P energy: -63.583 bonds (distance) P-C4' energy: -63.993 flat angles C4'-P-C4' energy: -61.800 flat angles P-C4'-P energy: -38.599 tors. eta vs tors. theta energy: -50.611 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: 8, replica: 5 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -620.863023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.863023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.863023 (E_RNA) where: Base-Base interactions energy: -385.114 where: short stacking energy: -189.214 Base-Backbone interact. energy: -0.280 local terms energy: -235.469141 where: bonds (distance) C4'-P energy: -40.055 bonds (distance) P-C4' energy: -54.389 flat angles C4'-P-C4' energy: -55.714 flat angles P-C4'-P energy: -34.172 tors. eta vs tors. theta energy: -51.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -570.461788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.461788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.461788 (E_RNA) where: Base-Base interactions energy: -359.089 where: short stacking energy: -162.823 Base-Backbone interact. energy: -0.999 local terms energy: -210.374070 where: bonds (distance) C4'-P energy: -47.107 bonds (distance) P-C4' energy: -49.393 flat angles C4'-P-C4' energy: -57.039 flat angles P-C4'-P energy: -36.141 tors. eta vs tors. theta energy: -20.694 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: 10, replica: 6 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -490.223703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.223703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.223703 (E_RNA) where: Base-Base interactions energy: -275.709 where: short stacking energy: -129.396 Base-Backbone interact. energy: -0.779 local terms energy: -213.734892 where: bonds (distance) C4'-P energy: -58.756 bonds (distance) P-C4' energy: -62.622 flat angles C4'-P-C4' energy: -51.217 flat angles P-C4'-P energy: -29.945 tors. eta vs tors. theta energy: -11.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -1175.164456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.164456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.164456 (E_RNA) where: Base-Base interactions energy: -821.663 where: short stacking energy: -359.444 Base-Backbone interact. energy: 0.184 local terms energy: -353.685907 where: bonds (distance) C4'-P energy: -53.805 bonds (distance) P-C4' energy: -60.402 flat angles C4'-P-C4' energy: -78.945 flat angles P-C4'-P energy: -49.002 tors. eta vs tors. theta energy: -111.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -1096.494654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.494654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.494654 (E_RNA) where: Base-Base interactions energy: -766.505 where: short stacking energy: -318.062 Base-Backbone interact. energy: -1.380 local terms energy: -328.609511 where: bonds (distance) C4'-P energy: -60.708 bonds (distance) P-C4' energy: -57.185 flat angles C4'-P-C4' energy: -71.920 flat angles P-C4'-P energy: -45.374 tors. eta vs tors. theta energy: -93.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -1040.924011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.924011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.924011 (E_RNA) where: Base-Base interactions energy: -711.054 where: short stacking energy: -310.246 Base-Backbone interact. energy: -0.941 local terms energy: -328.929134 where: bonds (distance) C4'-P energy: -66.707 bonds (distance) P-C4' energy: -56.595 flat angles C4'-P-C4' energy: -69.050 flat angles P-C4'-P energy: -44.165 tors. eta vs tors. theta energy: -92.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -997.071719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.071719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.071719 (E_RNA) where: Base-Base interactions energy: -661.059 where: short stacking energy: -304.222 Base-Backbone interact. energy: -0.845 local terms energy: -335.167993 where: bonds (distance) C4'-P energy: -60.316 bonds (distance) P-C4' energy: -62.505 flat angles C4'-P-C4' energy: -72.403 flat angles P-C4'-P energy: -46.022 tors. eta vs tors. theta energy: -93.922 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: 429 Temperature: 1.100000 Total energy: -979.949864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.949864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.949864 (E_RNA) where: Base-Base interactions energy: -666.371 where: short stacking energy: -274.312 Base-Backbone interact. energy: -0.943 local terms energy: -312.635226 where: bonds (distance) C4'-P energy: -50.055 bonds (distance) P-C4' energy: -62.884 flat angles C4'-P-C4' energy: -68.777 flat angles P-C4'-P energy: -46.283 tors. eta vs tors. theta energy: -84.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -833.956144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.956144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.956144 (E_RNA) where: Base-Base interactions energy: -550.142 where: short stacking energy: -221.198 Base-Backbone interact. energy: -0.662 local terms energy: -283.152339 where: bonds (distance) C4'-P energy: -62.993 bonds (distance) P-C4' energy: -68.866 flat angles C4'-P-C4' energy: -58.972 flat angles P-C4'-P energy: -36.931 tors. eta vs tors. theta energy: -55.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -772.916234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.916234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.916234 (E_RNA) where: Base-Base interactions energy: -514.641 where: short stacking energy: -247.625 Base-Backbone interact. energy: -1.530 local terms energy: -256.745216 where: bonds (distance) C4'-P energy: -52.146 bonds (distance) P-C4' energy: -40.305 flat angles C4'-P-C4' energy: -70.940 flat angles P-C4'-P energy: -30.282 tors. eta vs tors. theta energy: -63.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -662.788353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.788353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.788353 (E_RNA) where: Base-Base interactions energy: -394.120 where: short stacking energy: -193.331 Base-Backbone interact. energy: -0.589 local terms energy: -268.078720 where: bonds (distance) C4'-P energy: -60.355 bonds (distance) P-C4' energy: -61.215 flat angles C4'-P-C4' energy: -68.648 flat angles P-C4'-P energy: -44.278 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: 9, replica: 7 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -533.946026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.946026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.946026 (E_RNA) where: Base-Base interactions energy: -330.972 where: short stacking energy: -161.310 Base-Backbone interact. energy: -1.904 local terms energy: -201.070001 where: bonds (distance) C4'-P energy: -56.559 bonds (distance) P-C4' energy: -54.218 flat angles C4'-P-C4' energy: -45.420 flat angles P-C4'-P energy: -31.990 tors. eta vs tors. theta energy: -12.883 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: 6 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -479.044918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.044918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.044918 (E_RNA) where: Base-Base interactions energy: -284.043 where: short stacking energy: -141.629 Base-Backbone interact. energy: 3.729 local terms energy: -198.731704 where: bonds (distance) C4'-P energy: -49.927 bonds (distance) P-C4' energy: -45.389 flat angles C4'-P-C4' energy: -50.600 flat angles P-C4'-P energy: -31.451 tors. eta vs tors. theta energy: -21.364 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: 2 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -1206.656672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.656672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.656672 (E_RNA) where: Base-Base interactions energy: -837.901 where: short stacking energy: -363.776 Base-Backbone interact. energy: -1.048 local terms energy: -367.708189 where: bonds (distance) C4'-P energy: -60.418 bonds (distance) P-C4' energy: -67.270 flat angles C4'-P-C4' energy: -76.749 flat angles P-C4'-P energy: -47.679 tors. eta vs tors. theta energy: -115.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -1104.219829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.219829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.219829 (E_RNA) where: Base-Base interactions energy: -752.515 where: short stacking energy: -315.693 Base-Backbone interact. energy: 0.556 local terms energy: -352.260824 where: bonds (distance) C4'-P energy: -72.556 bonds (distance) P-C4' energy: -64.059 flat angles C4'-P-C4' energy: -69.399 flat angles P-C4'-P energy: -45.718 tors. eta vs tors. theta energy: -100.529 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: 3 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -1027.848539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.848539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.848539 (E_RNA) where: Base-Base interactions energy: -702.909 where: short stacking energy: -315.012 Base-Backbone interact. energy: 1.966 local terms energy: -326.904882 where: bonds (distance) C4'-P energy: -69.536 bonds (distance) P-C4' energy: -53.847 flat angles C4'-P-C4' energy: -62.533 flat angles P-C4'-P energy: -47.472 tors. eta vs tors. theta energy: -93.517 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: 1 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -1014.836408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.836408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.836408 (E_RNA) where: Base-Base interactions energy: -688.884 where: short stacking energy: -295.477 Base-Backbone interact. energy: -0.596 local terms energy: -325.356325 where: bonds (distance) C4'-P energy: -56.654 bonds (distance) P-C4' energy: -63.907 flat angles C4'-P-C4' energy: -71.844 flat angles P-C4'-P energy: -44.394 tors. eta vs tors. theta energy: -88.558 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: 4 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -945.584500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.584500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.584500 (E_RNA) where: Base-Base interactions energy: -632.756 where: short stacking energy: -286.579 Base-Backbone interact. energy: -1.518 local terms energy: -311.310992 where: bonds (distance) C4'-P energy: -53.584 bonds (distance) P-C4' energy: -65.359 flat angles C4'-P-C4' energy: -66.471 flat angles P-C4'-P energy: -38.137 tors. eta vs tors. theta energy: -87.760 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: 9 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -828.896778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.896778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.896778 (E_RNA) where: Base-Base interactions energy: -561.570 where: short stacking energy: -237.403 Base-Backbone interact. energy: -0.357 local terms energy: -266.969790 where: bonds (distance) C4'-P energy: -57.796 bonds (distance) P-C4' energy: -47.903 flat angles C4'-P-C4' energy: -68.265 flat angles P-C4'-P energy: -36.634 tors. eta vs tors. theta energy: -56.371 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: 10 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -821.646384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.646384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.646384 (E_RNA) where: Base-Base interactions energy: -544.894 where: short stacking energy: -243.642 Base-Backbone interact. energy: 0.145 local terms energy: -276.897187 where: bonds (distance) C4'-P energy: -56.198 bonds (distance) P-C4' energy: -59.750 flat angles C4'-P-C4' energy: -55.016 flat angles P-C4'-P energy: -39.652 tors. eta vs tors. theta energy: -66.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -684.737917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.737917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.737917 (E_RNA) where: Base-Base interactions energy: -427.036 where: short stacking energy: -213.440 Base-Backbone interact. energy: -1.185 local terms energy: -256.516897 where: bonds (distance) C4'-P energy: -53.472 bonds (distance) P-C4' energy: -44.869 flat angles C4'-P-C4' energy: -55.709 flat angles P-C4'-P energy: -51.535 tors. eta vs tors. theta energy: -50.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -534.882542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.882542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.882542 (E_RNA) where: Base-Base interactions energy: -330.253 where: short stacking energy: -155.886 Base-Backbone interact. energy: -0.180 local terms energy: -204.449433 where: bonds (distance) C4'-P energy: -57.927 bonds (distance) P-C4' energy: -47.432 flat angles C4'-P-C4' energy: -40.850 flat angles P-C4'-P energy: -28.366 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: 7 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -533.886620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.886620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.886620 (E_RNA) where: Base-Base interactions energy: -299.598 where: short stacking energy: -145.651 Base-Backbone interact. energy: -0.873 local terms energy: -233.415700 where: bonds (distance) C4'-P energy: -55.412 bonds (distance) P-C4' energy: -57.138 flat angles C4'-P-C4' energy: -55.598 flat angles P-C4'-P energy: -33.418 tors. eta vs tors. theta energy: -31.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -1183.180090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.180090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.180090 (E_RNA) where: Base-Base interactions energy: -823.210 where: short stacking energy: -349.628 Base-Backbone interact. energy: -1.137 local terms energy: -358.833277 where: bonds (distance) C4'-P energy: -58.991 bonds (distance) P-C4' energy: -69.353 flat angles C4'-P-C4' energy: -75.275 flat angles P-C4'-P energy: -48.527 tors. eta vs tors. theta energy: -106.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -1130.461357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.461357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.461357 (E_RNA) where: Base-Base interactions energy: -777.487 where: short stacking energy: -312.477 Base-Backbone interact. energy: -0.128 local terms energy: -352.846522 where: bonds (distance) C4'-P energy: -68.328 bonds (distance) P-C4' energy: -64.844 flat angles C4'-P-C4' energy: -74.014 flat angles P-C4'-P energy: -48.667 tors. eta vs tors. theta energy: -96.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -1064.372541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.372541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.372541 (E_RNA) where: Base-Base interactions energy: -732.030 where: short stacking energy: -312.992 Base-Backbone interact. energy: -1.502 local terms energy: -330.840410 where: bonds (distance) C4'-P energy: -57.702 bonds (distance) P-C4' energy: -56.622 flat angles C4'-P-C4' energy: -73.201 flat angles P-C4'-P energy: -51.252 tors. eta vs tors. theta energy: -92.064 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: 1 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -1011.455843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.455843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.455843 (E_RNA) where: Base-Base interactions energy: -684.379 where: short stacking energy: -307.791 Base-Backbone interact. energy: -0.306 local terms energy: -326.771251 where: bonds (distance) C4'-P energy: -49.575 bonds (distance) P-C4' energy: -66.498 flat angles C4'-P-C4' energy: -70.958 flat angles P-C4'-P energy: -47.346 tors. eta vs tors. theta energy: -92.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -945.505903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.505903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.505903 (E_RNA) where: Base-Base interactions energy: -641.445 where: short stacking energy: -276.935 Base-Backbone interact. energy: -2.238 local terms energy: -301.822479 where: bonds (distance) C4'-P energy: -62.347 bonds (distance) P-C4' energy: -42.122 flat angles C4'-P-C4' energy: -63.382 flat angles P-C4'-P energy: -48.794 tors. eta vs tors. theta energy: -85.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -858.035811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.035811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.035811 (E_RNA) where: Base-Base interactions energy: -570.952 where: short stacking energy: -247.367 Base-Backbone interact. energy: 0.038 local terms energy: -287.122313 where: bonds (distance) C4'-P energy: -52.735 bonds (distance) P-C4' energy: -54.844 flat angles C4'-P-C4' energy: -61.043 flat angles P-C4'-P energy: -42.969 tors. eta vs tors. theta energy: -75.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -816.659471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.659471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.659471 (E_RNA) where: Base-Base interactions energy: -535.118 where: short stacking energy: -243.993 Base-Backbone interact. energy: 0.209 local terms energy: -281.750415 where: bonds (distance) C4'-P energy: -47.379 bonds (distance) P-C4' energy: -60.387 flat angles C4'-P-C4' energy: -67.105 flat angles P-C4'-P energy: -34.338 tors. eta vs tors. theta energy: -72.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -658.404952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.404952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.404952 (E_RNA) where: Base-Base interactions energy: -418.228 where: short stacking energy: -204.293 Base-Backbone interact. energy: 2.464 local terms energy: -242.640044 where: bonds (distance) C4'-P energy: -48.337 bonds (distance) P-C4' energy: -52.879 flat angles C4'-P-C4' energy: -69.552 flat angles P-C4'-P energy: -15.679 tors. eta vs tors. theta energy: -56.193 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: 9, replica: 6 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -553.072343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.072343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.072343 (E_RNA) where: Base-Base interactions energy: -337.351 where: short stacking energy: -156.726 Base-Backbone interact. energy: -1.975 local terms energy: -213.746640 where: bonds (distance) C4'-P energy: -52.909 bonds (distance) P-C4' energy: -57.686 flat angles C4'-P-C4' energy: -48.321 flat angles P-C4'-P energy: -31.253 tors. eta vs tors. theta energy: -23.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -515.719366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.719366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.719366 (E_RNA) where: Base-Base interactions energy: -309.078 where: short stacking energy: -155.406 Base-Backbone interact. energy: -0.972 local terms energy: -205.669261 where: bonds (distance) C4'-P energy: -44.189 bonds (distance) P-C4' energy: -59.658 flat angles C4'-P-C4' energy: -43.869 flat angles P-C4'-P energy: -30.194 tors. eta vs tors. theta energy: -27.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -1186.016661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.016661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.016661 (E_RNA) where: Base-Base interactions energy: -825.219 where: short stacking energy: -352.461 Base-Backbone interact. energy: -0.603 local terms energy: -360.194301 where: bonds (distance) C4'-P energy: -58.811 bonds (distance) P-C4' energy: -69.913 flat angles C4'-P-C4' energy: -70.078 flat angles P-C4'-P energy: -47.742 tors. eta vs tors. theta energy: -113.651 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: 8 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -1124.659246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.659246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.659246 (E_RNA) where: Base-Base interactions energy: -782.926 where: short stacking energy: -324.683 Base-Backbone interact. energy: -1.677 local terms energy: -340.056203 where: bonds (distance) C4'-P energy: -66.273 bonds (distance) P-C4' energy: -59.665 flat angles C4'-P-C4' energy: -70.676 flat angles P-C4'-P energy: -47.829 tors. eta vs tors. theta energy: -95.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -1052.646910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.646910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.646910 (E_RNA) where: Base-Base interactions energy: -722.974 where: short stacking energy: -304.694 Base-Backbone interact. energy: -0.558 local terms energy: -329.115211 where: bonds (distance) C4'-P energy: -58.161 bonds (distance) P-C4' energy: -58.051 flat angles C4'-P-C4' energy: -76.112 flat angles P-C4'-P energy: -46.407 tors. eta vs tors. theta energy: -90.384 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: 1 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -1013.803922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.803922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.803922 (E_RNA) where: Base-Base interactions energy: -702.846 where: short stacking energy: -310.082 Base-Backbone interact. energy: -0.401 local terms energy: -310.556758 where: bonds (distance) C4'-P energy: -46.550 bonds (distance) P-C4' energy: -56.401 flat angles C4'-P-C4' energy: -71.805 flat angles P-C4'-P energy: -45.135 tors. eta vs tors. theta energy: -90.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -937.743566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.743566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.743566 (E_RNA) where: Base-Base interactions energy: -654.762 where: short stacking energy: -273.245 Base-Backbone interact. energy: -0.688 local terms energy: -282.293406 where: bonds (distance) C4'-P energy: -39.908 bonds (distance) P-C4' energy: -63.106 flat angles C4'-P-C4' energy: -56.084 flat angles P-C4'-P energy: -43.229 tors. eta vs tors. theta energy: -79.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -838.432716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.432716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.432716 (E_RNA) where: Base-Base interactions energy: -555.386 where: short stacking energy: -257.314 Base-Backbone interact. energy: -0.803 local terms energy: -282.243747 where: bonds (distance) C4'-P energy: -59.697 bonds (distance) P-C4' energy: -52.436 flat angles C4'-P-C4' energy: -65.897 flat angles P-C4'-P energy: -39.660 tors. eta vs tors. theta energy: -64.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -830.155054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.155054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.155054 (E_RNA) where: Base-Base interactions energy: -553.655 where: short stacking energy: -244.105 Base-Backbone interact. energy: -1.270 local terms energy: -275.229940 where: bonds (distance) C4'-P energy: -42.664 bonds (distance) P-C4' energy: -62.926 flat angles C4'-P-C4' energy: -61.768 flat angles P-C4'-P energy: -44.127 tors. eta vs tors. theta energy: -63.744 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: 5 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -654.765131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.765131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.765131 (E_RNA) where: Base-Base interactions energy: -426.204 where: short stacking energy: -184.589 Base-Backbone interact. energy: -0.500 local terms energy: -228.060571 where: bonds (distance) C4'-P energy: -54.992 bonds (distance) P-C4' energy: -47.996 flat angles C4'-P-C4' energy: -58.727 flat angles P-C4'-P energy: -32.669 tors. eta vs tors. theta energy: -33.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -518.245086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.245086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.245086 (E_RNA) where: Base-Base interactions energy: -307.868 where: short stacking energy: -145.532 Base-Backbone interact. energy: -1.177 local terms energy: -209.200507 where: bonds (distance) C4'-P energy: -45.496 bonds (distance) P-C4' energy: -58.206 flat angles C4'-P-C4' energy: -51.692 flat angles P-C4'-P energy: -40.537 tors. eta vs tors. theta energy: -13.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -491.035049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.035049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.035049 (E_RNA) where: Base-Base interactions energy: -283.104 where: short stacking energy: -134.442 Base-Backbone interact. energy: 4.905 local terms energy: -212.835831 where: bonds (distance) C4'-P energy: -61.297 bonds (distance) P-C4' energy: -61.449 flat angles C4'-P-C4' energy: -33.063 flat angles P-C4'-P energy: -34.155 tors. eta vs tors. theta energy: -22.872 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: 1, replica: 2 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -1193.100324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.100324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.100324 (E_RNA) where: Base-Base interactions energy: -824.938 where: short stacking energy: -360.713 Base-Backbone interact. energy: -0.290 local terms energy: -367.872379 where: bonds (distance) C4'-P energy: -63.959 bonds (distance) P-C4' energy: -65.802 flat angles C4'-P-C4' energy: -76.669 flat angles P-C4'-P energy: -51.623 tors. eta vs tors. theta energy: -109.820 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: 8 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -1094.145183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.145183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.145183 (E_RNA) where: Base-Base interactions energy: -761.659 where: short stacking energy: -311.597 Base-Backbone interact. energy: -0.420 local terms energy: -332.066566 where: bonds (distance) C4'-P energy: -64.177 bonds (distance) P-C4' energy: -64.388 flat angles C4'-P-C4' energy: -63.809 flat angles P-C4'-P energy: -42.607 tors. eta vs tors. theta energy: -97.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -1088.465868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.465868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.465868 (E_RNA) where: Base-Base interactions energy: -743.739 where: short stacking energy: -316.395 Base-Backbone interact. energy: -1.484 local terms energy: -343.243050 where: bonds (distance) C4'-P energy: -56.940 bonds (distance) P-C4' energy: -67.252 flat angles C4'-P-C4' energy: -75.835 flat angles P-C4'-P energy: -45.581 tors. eta vs tors. theta energy: -97.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -997.856418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.856418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.856418 (E_RNA) where: Base-Base interactions energy: -685.616 where: short stacking energy: -298.398 Base-Backbone interact. energy: 0.505 local terms energy: -312.745016 where: bonds (distance) C4'-P energy: -53.111 bonds (distance) P-C4' energy: -61.110 flat angles C4'-P-C4' energy: -68.698 flat angles P-C4'-P energy: -41.435 tors. eta vs tors. theta energy: -88.391 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: 4 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -924.383310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.383310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.383310 (E_RNA) where: Base-Base interactions energy: -625.279 where: short stacking energy: -263.880 Base-Backbone interact. energy: 0.415 local terms energy: -299.519540 where: bonds (distance) C4'-P energy: -68.676 bonds (distance) P-C4' energy: -56.524 flat angles C4'-P-C4' energy: -64.525 flat angles P-C4'-P energy: -33.793 tors. eta vs tors. theta energy: -76.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -849.625148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.625148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.625148 (E_RNA) where: Base-Base interactions energy: -560.431 where: short stacking energy: -260.824 Base-Backbone interact. energy: -0.321 local terms energy: -288.872790 where: bonds (distance) C4'-P energy: -47.295 bonds (distance) P-C4' energy: -57.964 flat angles C4'-P-C4' energy: -65.190 flat angles P-C4'-P energy: -46.768 tors. eta vs tors. theta energy: -71.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -851.737729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.737729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.737729 (E_RNA) where: Base-Base interactions energy: -575.981 where: short stacking energy: -248.810 Base-Backbone interact. energy: 0.153 local terms energy: -275.909905 where: bonds (distance) C4'-P energy: -47.595 bonds (distance) P-C4' energy: -58.763 flat angles C4'-P-C4' energy: -64.824 flat angles P-C4'-P energy: -31.854 tors. eta vs tors. theta energy: -72.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -658.137271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.137271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.137271 (E_RNA) where: Base-Base interactions energy: -416.692 where: short stacking energy: -187.567 Base-Backbone interact. energy: -1.111 local terms energy: -240.334335 where: bonds (distance) C4'-P energy: -42.907 bonds (distance) P-C4' energy: -57.726 flat angles C4'-P-C4' energy: -54.052 flat angles P-C4'-P energy: -37.822 tors. eta vs tors. theta energy: -47.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -514.928645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.928645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.928645 (E_RNA) where: Base-Base interactions energy: -292.246 where: short stacking energy: -143.061 Base-Backbone interact. energy: 0.004 local terms energy: -222.686404 where: bonds (distance) C4'-P energy: -51.332 bonds (distance) P-C4' energy: -67.529 flat angles C4'-P-C4' energy: -53.461 flat angles P-C4'-P energy: -34.226 tors. eta vs tors. theta energy: -16.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -487.244659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.244659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.244659 (E_RNA) where: Base-Base interactions energy: -254.242 where: short stacking energy: -125.048 Base-Backbone interact. energy: -1.478 local terms energy: -231.524738 where: bonds (distance) C4'-P energy: -60.956 bonds (distance) P-C4' energy: -62.155 flat angles C4'-P-C4' energy: -52.450 flat angles P-C4'-P energy: -39.378 tors. eta vs tors. theta energy: -16.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -1197.514065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.514065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.514065 (E_RNA) where: Base-Base interactions energy: -831.383 where: short stacking energy: -362.251 Base-Backbone interact. energy: -0.376 local terms energy: -365.754760 where: bonds (distance) C4'-P energy: -63.074 bonds (distance) P-C4' energy: -59.225 flat angles C4'-P-C4' energy: -81.345 flat angles P-C4'-P energy: -49.044 tors. eta vs tors. theta energy: -113.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -1092.429593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.429593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.429593 (E_RNA) where: Base-Base interactions energy: -751.281 where: short stacking energy: -316.701 Base-Backbone interact. energy: -2.868 local terms energy: -338.280409 where: bonds (distance) C4'-P energy: -66.450 bonds (distance) P-C4' energy: -62.163 flat angles C4'-P-C4' energy: -65.557 flat angles P-C4'-P energy: -48.232 tors. eta vs tors. theta energy: -95.878 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: 1 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -1026.463472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.463472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.463472 (E_RNA) where: Base-Base interactions energy: -716.328 where: short stacking energy: -323.341 Base-Backbone interact. energy: -0.434 local terms energy: -309.701884 where: bonds (distance) C4'-P energy: -49.550 bonds (distance) P-C4' energy: -62.152 flat angles C4'-P-C4' energy: -68.454 flat angles P-C4'-P energy: -38.354 tors. eta vs tors. theta energy: -91.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -1036.847550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.847550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.847550 (E_RNA) where: Base-Base interactions energy: -701.969 where: short stacking energy: -301.138 Base-Backbone interact. energy: 0.169 local terms energy: -335.047486 where: bonds (distance) C4'-P energy: -66.525 bonds (distance) P-C4' energy: -61.597 flat angles C4'-P-C4' energy: -65.706 flat angles P-C4'-P energy: -48.452 tors. eta vs tors. theta energy: -92.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -938.379631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.379631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.379631 (E_RNA) where: Base-Base interactions energy: -636.932 where: short stacking energy: -264.672 Base-Backbone interact. energy: -1.228 local terms energy: -300.219678 where: bonds (distance) C4'-P energy: -61.467 bonds (distance) P-C4' energy: -61.941 flat angles C4'-P-C4' energy: -64.313 flat angles P-C4'-P energy: -36.459 tors. eta vs tors. theta energy: -76.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -881.092217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.092217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.092217 (E_RNA) where: Base-Base interactions energy: -582.079 where: short stacking energy: -253.166 Base-Backbone interact. energy: 0.068 local terms energy: -299.080946 where: bonds (distance) C4'-P energy: -60.084 bonds (distance) P-C4' energy: -55.328 flat angles C4'-P-C4' energy: -59.073 flat angles P-C4'-P energy: -46.650 tors. eta vs tors. theta energy: -77.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -826.026076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.026076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.026076 (E_RNA) where: Base-Base interactions energy: -561.420 where: short stacking energy: -262.563 Base-Backbone interact. energy: -1.664 local terms energy: -262.942249 where: bonds (distance) C4'-P energy: -48.425 bonds (distance) P-C4' energy: -53.791 flat angles C4'-P-C4' energy: -52.698 flat angles P-C4'-P energy: -40.862 tors. eta vs tors. theta energy: -67.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -664.318661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.318661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.318661 (E_RNA) where: Base-Base interactions energy: -407.210 where: short stacking energy: -189.704 Base-Backbone interact. energy: -1.272 local terms energy: -255.836750 where: bonds (distance) C4'-P energy: -54.935 bonds (distance) P-C4' energy: -64.665 flat angles C4'-P-C4' energy: -58.315 flat angles P-C4'-P energy: -35.573 tors. eta vs tors. theta energy: -42.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -529.012419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.012419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.012419 (E_RNA) where: Base-Base interactions energy: -321.355 where: short stacking energy: -156.608 Base-Backbone interact. energy: 2.489 local terms energy: -210.146851 where: bonds (distance) C4'-P energy: -56.179 bonds (distance) P-C4' energy: -40.192 flat angles C4'-P-C4' energy: -48.957 flat angles P-C4'-P energy: -27.822 tors. eta vs tors. theta energy: -36.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -491.428969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.428969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.428969 (E_RNA) where: Base-Base interactions energy: -289.580 where: short stacking energy: -141.703 Base-Backbone interact. energy: -1.763 local terms energy: -200.085612 where: bonds (distance) C4'-P energy: -55.421 bonds (distance) P-C4' energy: -46.860 flat angles C4'-P-C4' energy: -53.227 flat angles P-C4'-P energy: -23.762 tors. eta vs tors. theta energy: -20.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -1182.405248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.405248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.405248 (E_RNA) where: Base-Base interactions energy: -808.918 where: short stacking energy: -356.041 Base-Backbone interact. energy: -0.884 local terms energy: -372.603383 where: bonds (distance) C4'-P energy: -66.689 bonds (distance) P-C4' energy: -66.670 flat angles C4'-P-C4' energy: -73.255 flat angles P-C4'-P energy: -50.706 tors. eta vs tors. theta energy: -115.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -1100.913562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.913562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.913562 (E_RNA) where: Base-Base interactions energy: -750.698 where: short stacking energy: -327.437 Base-Backbone interact. energy: -1.821 local terms energy: -348.394556 where: bonds (distance) C4'-P energy: -49.476 bonds (distance) P-C4' energy: -68.796 flat angles C4'-P-C4' energy: -74.839 flat angles P-C4'-P energy: -56.236 tors. eta vs tors. theta energy: -99.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -1064.524459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.524459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.524459 (E_RNA) where: Base-Base interactions energy: -717.042 where: short stacking energy: -303.005 Base-Backbone interact. energy: 3.521 local terms energy: -351.003072 where: bonds (distance) C4'-P energy: -65.327 bonds (distance) P-C4' energy: -71.278 flat angles C4'-P-C4' energy: -75.342 flat angles P-C4'-P energy: -50.739 tors. eta vs tors. theta energy: -88.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -1040.857089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.857089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.857089 (E_RNA) where: Base-Base interactions energy: -712.331 where: short stacking energy: -303.814 Base-Backbone interact. energy: 1.617 local terms energy: -330.142931 where: bonds (distance) C4'-P energy: -59.232 bonds (distance) P-C4' energy: -61.101 flat angles C4'-P-C4' energy: -75.897 flat angles P-C4'-P energy: -42.440 tors. eta vs tors. theta energy: -91.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -917.429285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.429285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.429285 (E_RNA) where: Base-Base interactions energy: -625.612 where: short stacking energy: -272.986 Base-Backbone interact. energy: 1.436 local terms energy: -293.252767 where: bonds (distance) C4'-P energy: -55.703 bonds (distance) P-C4' energy: -66.580 flat angles C4'-P-C4' energy: -67.304 flat angles P-C4'-P energy: -37.612 tors. eta vs tors. theta energy: -66.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -839.588813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.588813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.588813 (E_RNA) where: Base-Base interactions energy: -557.180 where: short stacking energy: -256.875 Base-Backbone interact. energy: -1.644 local terms energy: -280.764676 where: bonds (distance) C4'-P energy: -50.128 bonds (distance) P-C4' energy: -64.766 flat angles C4'-P-C4' energy: -58.697 flat angles P-C4'-P energy: -40.965 tors. eta vs tors. theta energy: -66.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -821.373180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.373180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.373180 (E_RNA) where: Base-Base interactions energy: -538.687 where: short stacking energy: -238.368 Base-Backbone interact. energy: 2.817 local terms energy: -285.503655 where: bonds (distance) C4'-P energy: -51.981 bonds (distance) P-C4' energy: -64.115 flat angles C4'-P-C4' energy: -61.354 flat angles P-C4'-P energy: -44.844 tors. eta vs tors. theta energy: -63.210 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: 5 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -579.544738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.544738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.544738 (E_RNA) where: Base-Base interactions energy: -352.552 where: short stacking energy: -200.624 Base-Backbone interact. energy: 0.534 local terms energy: -227.526618 where: bonds (distance) C4'-P energy: -51.595 bonds (distance) P-C4' energy: -48.670 flat angles C4'-P-C4' energy: -48.933 flat angles P-C4'-P energy: -41.304 tors. eta vs tors. theta energy: -37.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -536.724301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.724301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.724301 (E_RNA) where: Base-Base interactions energy: -301.991 where: short stacking energy: -156.003 Base-Backbone interact. energy: -0.759 local terms energy: -233.974051 where: bonds (distance) C4'-P energy: -57.074 bonds (distance) P-C4' energy: -63.743 flat angles C4'-P-C4' energy: -52.182 flat angles P-C4'-P energy: -38.222 tors. eta vs tors. theta energy: -22.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -504.082331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.082331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.082331 (E_RNA) where: Base-Base interactions energy: -287.543 where: short stacking energy: -126.663 Base-Backbone interact. energy: -1.984 local terms energy: -214.555285 where: bonds (distance) C4'-P energy: -49.322 bonds (distance) P-C4' energy: -61.205 flat angles C4'-P-C4' energy: -43.776 flat angles P-C4'-P energy: -35.059 tors. eta vs tors. theta energy: -25.192 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: 1, replica: 8 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -1131.717498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.717498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.717498 (E_RNA) where: Base-Base interactions energy: -783.728 where: short stacking energy: -334.518 Base-Backbone interact. energy: -1.353 local terms energy: -346.635886 where: bonds (distance) C4'-P energy: -64.979 bonds (distance) P-C4' energy: -60.771 flat angles C4'-P-C4' energy: -71.941 flat angles P-C4'-P energy: -52.023 tors. eta vs tors. theta energy: -96.922 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: 2 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -1164.337054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.337054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.337054 (E_RNA) where: Base-Base interactions energy: -810.642 where: short stacking energy: -359.781 Base-Backbone interact. energy: -0.918 local terms energy: -352.776566 where: bonds (distance) C4'-P energy: -54.660 bonds (distance) P-C4' energy: -59.280 flat angles C4'-P-C4' energy: -74.963 flat angles P-C4'-P energy: -49.019 tors. eta vs tors. theta energy: -114.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -1059.354083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.354083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.354083 (E_RNA) where: Base-Base interactions energy: -734.852 where: short stacking energy: -314.819 Base-Backbone interact. energy: 0.815 local terms energy: -325.317014 where: bonds (distance) C4'-P energy: -70.131 bonds (distance) P-C4' energy: -54.209 flat angles C4'-P-C4' energy: -66.601 flat angles P-C4'-P energy: -37.765 tors. eta vs tors. theta energy: -96.612 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: 1 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -1009.071982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.071982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.071982 (E_RNA) where: Base-Base interactions energy: -699.744 where: short stacking energy: -302.953 Base-Backbone interact. energy: -1.147 local terms energy: -308.180904 where: bonds (distance) C4'-P energy: -55.699 bonds (distance) P-C4' energy: -57.436 flat angles C4'-P-C4' energy: -58.653 flat angles P-C4'-P energy: -46.488 tors. eta vs tors. theta energy: -89.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -924.941919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.941919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.941919 (E_RNA) where: Base-Base interactions energy: -608.448 where: short stacking energy: -261.535 Base-Backbone interact. energy: -0.669 local terms energy: -315.824697 where: bonds (distance) C4'-P energy: -50.803 bonds (distance) P-C4' energy: -66.848 flat angles C4'-P-C4' energy: -69.502 flat angles P-C4'-P energy: -47.659 tors. eta vs tors. theta energy: -81.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -853.018183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.018183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.018183 (E_RNA) where: Base-Base interactions energy: -583.476 where: short stacking energy: -245.768 Base-Backbone interact. energy: 0.289 local terms energy: -269.830531 where: bonds (distance) C4'-P energy: -46.478 bonds (distance) P-C4' energy: -56.989 flat angles C4'-P-C4' energy: -60.956 flat angles P-C4'-P energy: -43.458 tors. eta vs tors. theta energy: -61.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -820.996282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.996282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.996282 (E_RNA) where: Base-Base interactions energy: -548.989 where: short stacking energy: -234.616 Base-Backbone interact. energy: 2.593 local terms energy: -274.600827 where: bonds (distance) C4'-P energy: -51.103 bonds (distance) P-C4' energy: -62.524 flat angles C4'-P-C4' energy: -62.412 flat angles P-C4'-P energy: -35.075 tors. eta vs tors. theta energy: -63.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -616.895447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.895447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.895447 (E_RNA) where: Base-Base interactions energy: -360.793 where: short stacking energy: -179.810 Base-Backbone interact. energy: 1.829 local terms energy: -257.931948 where: bonds (distance) C4'-P energy: -62.654 bonds (distance) P-C4' energy: -52.807 flat angles C4'-P-C4' energy: -59.152 flat angles P-C4'-P energy: -38.577 tors. eta vs tors. theta energy: -44.742 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: 9, replica: 7 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -504.300214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.300214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.300214 (E_RNA) where: Base-Base interactions energy: -289.356 where: short stacking energy: -137.965 Base-Backbone interact. energy: 3.059 local terms energy: -218.003023 where: bonds (distance) C4'-P energy: -60.119 bonds (distance) P-C4' energy: -59.676 flat angles C4'-P-C4' energy: -50.819 flat angles P-C4'-P energy: -27.695 tors. eta vs tors. theta energy: -19.694 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: 10, replica: 6 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -507.520092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.520092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.520092 (E_RNA) where: Base-Base interactions energy: -306.072 where: short stacking energy: -166.345 Base-Backbone interact. energy: 1.662 local terms energy: -203.109676 where: bonds (distance) C4'-P energy: -51.861 bonds (distance) P-C4' energy: -44.392 flat angles C4'-P-C4' energy: -36.561 flat angles P-C4'-P energy: -41.007 tors. eta vs tors. theta energy: -29.289 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: 8 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -1118.513263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.513263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.513263 (E_RNA) where: Base-Base interactions energy: -774.484 where: short stacking energy: -323.560 Base-Backbone interact. energy: -2.695 local terms energy: -341.334152 where: bonds (distance) C4'-P energy: -64.167 bonds (distance) P-C4' energy: -66.531 flat angles C4'-P-C4' energy: -67.755 flat angles P-C4'-P energy: -49.362 tors. eta vs tors. theta energy: -93.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -1190.903159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.903159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.903159 (E_RNA) where: Base-Base interactions energy: -821.342 where: short stacking energy: -351.970 Base-Backbone interact. energy: -2.164 local terms energy: -367.397670 where: bonds (distance) C4'-P energy: -63.714 bonds (distance) P-C4' energy: -65.533 flat angles C4'-P-C4' energy: -73.926 flat angles P-C4'-P energy: -50.792 tors. eta vs tors. theta energy: -113.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -1038.936303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.936303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.936303 (E_RNA) where: Base-Base interactions energy: -716.401 where: short stacking energy: -296.205 Base-Backbone interact. energy: -0.879 local terms energy: -321.655632 where: bonds (distance) C4'-P energy: -53.583 bonds (distance) P-C4' energy: -65.274 flat angles C4'-P-C4' energy: -69.251 flat angles P-C4'-P energy: -45.490 tors. eta vs tors. theta energy: -88.057 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: 4, replica: 1 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -1009.897581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.897581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.897581 (E_RNA) where: Base-Base interactions energy: -676.852 where: short stacking energy: -284.031 Base-Backbone interact. energy: -1.275 local terms energy: -331.771160 where: bonds (distance) C4'-P energy: -63.259 bonds (distance) P-C4' energy: -58.458 flat angles C4'-P-C4' energy: -68.056 flat angles P-C4'-P energy: -53.568 tors. eta vs tors. theta energy: -88.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -926.249234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.249234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.249234 (E_RNA) where: Base-Base interactions energy: -626.884 where: short stacking energy: -254.329 Base-Backbone interact. energy: -0.195 local terms energy: -299.169922 where: bonds (distance) C4'-P energy: -53.052 bonds (distance) P-C4' energy: -57.133 flat angles C4'-P-C4' energy: -71.050 flat angles P-C4'-P energy: -41.064 tors. eta vs tors. theta energy: -76.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -849.581591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.581591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.581591 (E_RNA) where: Base-Base interactions energy: -569.136 where: short stacking energy: -265.050 Base-Backbone interact. energy: -1.242 local terms energy: -279.204390 where: bonds (distance) C4'-P energy: -57.123 bonds (distance) P-C4' energy: -47.880 flat angles C4'-P-C4' energy: -56.128 flat angles P-C4'-P energy: -42.630 tors. eta vs tors. theta energy: -75.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -803.366844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.366844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.366844 (E_RNA) where: Base-Base interactions energy: -559.101 where: short stacking energy: -245.323 Base-Backbone interact. energy: 2.481 local terms energy: -246.746380 where: bonds (distance) C4'-P energy: -37.588 bonds (distance) P-C4' energy: -50.241 flat angles C4'-P-C4' energy: -60.092 flat angles P-C4'-P energy: -41.176 tors. eta vs tors. theta energy: -57.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -506.210344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.210344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.210344 (E_RNA) where: Base-Base interactions energy: -294.650 where: short stacking energy: -159.790 Base-Backbone interact. energy: -0.320 local terms energy: -211.240986 where: bonds (distance) C4'-P energy: -47.487 bonds (distance) P-C4' energy: -47.180 flat angles C4'-P-C4' energy: -54.371 flat angles P-C4'-P energy: -30.381 tors. eta vs tors. theta energy: -31.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -543.168924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.168924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.168924 (E_RNA) where: Base-Base interactions energy: -316.810 where: short stacking energy: -157.243 Base-Backbone interact. energy: -0.177 local terms energy: -226.181421 where: bonds (distance) C4'-P energy: -48.723 bonds (distance) P-C4' energy: -44.705 flat angles C4'-P-C4' energy: -53.211 flat angles P-C4'-P energy: -46.408 tors. eta vs tors. theta energy: -33.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -525.388456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.388456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.388456 (E_RNA) where: Base-Base interactions energy: -307.462 where: short stacking energy: -148.119 Base-Backbone interact. energy: 0.739 local terms energy: -218.665118 where: bonds (distance) C4'-P energy: -58.248 bonds (distance) P-C4' energy: -47.238 flat angles C4'-P-C4' energy: -44.916 flat angles P-C4'-P energy: -42.237 tors. eta vs tors. theta energy: -26.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -1173.951718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.951718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.951718 (E_RNA) where: Base-Base interactions energy: -799.212 where: short stacking energy: -343.734 Base-Backbone interact. energy: -0.191 local terms energy: -374.549497 where: bonds (distance) C4'-P energy: -69.393 bonds (distance) P-C4' energy: -67.200 flat angles C4'-P-C4' energy: -77.282 flat angles P-C4'-P energy: -54.599 tors. eta vs tors. theta energy: -106.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -1092.755010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.755010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.755010 (E_RNA) where: Base-Base interactions energy: -768.068 where: short stacking energy: -325.816 Base-Backbone interact. energy: -0.359 local terms energy: -324.328093 where: bonds (distance) C4'-P energy: -58.141 bonds (distance) P-C4' energy: -55.082 flat angles C4'-P-C4' energy: -62.523 flat angles P-C4'-P energy: -51.550 tors. eta vs tors. theta energy: -97.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -1037.575205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.575205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.575205 (E_RNA) where: Base-Base interactions energy: -704.612 where: short stacking energy: -311.422 Base-Backbone interact. energy: 2.411 local terms energy: -335.374334 where: bonds (distance) C4'-P energy: -59.173 bonds (distance) P-C4' energy: -66.508 flat angles C4'-P-C4' energy: -71.399 flat angles P-C4'-P energy: -51.255 tors. eta vs tors. theta energy: -87.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -1031.676420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.676420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.676420 (E_RNA) where: Base-Base interactions energy: -721.562 where: short stacking energy: -306.078 Base-Backbone interact. energy: -0.722 local terms energy: -309.392607 where: bonds (distance) C4'-P energy: -54.314 bonds (distance) P-C4' energy: -58.281 flat angles C4'-P-C4' energy: -75.967 flat angles P-C4'-P energy: -35.204 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: 5, replica: 4 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -941.983582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.983582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.983582 (E_RNA) where: Base-Base interactions energy: -642.606 where: short stacking energy: -282.431 Base-Backbone interact. energy: -1.017 local terms energy: -298.360632 where: bonds (distance) C4'-P energy: -52.380 bonds (distance) P-C4' energy: -53.110 flat angles C4'-P-C4' energy: -68.080 flat angles P-C4'-P energy: -44.273 tors. eta vs tors. theta energy: -80.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -867.236304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.236304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.236304 (E_RNA) where: Base-Base interactions energy: -588.444 where: short stacking energy: -272.287 Base-Backbone interact. energy: 0.464 local terms energy: -279.256345 where: bonds (distance) C4'-P energy: -47.645 bonds (distance) P-C4' energy: -51.118 flat angles C4'-P-C4' energy: -60.107 flat angles P-C4'-P energy: -41.092 tors. eta vs tors. theta energy: -79.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -779.877568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.877568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.877568 (E_RNA) where: Base-Base interactions energy: -518.462 where: short stacking energy: -241.558 Base-Backbone interact. energy: -1.277 local terms energy: -260.138629 where: bonds (distance) C4'-P energy: -44.240 bonds (distance) P-C4' energy: -48.437 flat angles C4'-P-C4' energy: -58.001 flat angles P-C4'-P energy: -40.783 tors. eta vs tors. theta energy: -68.678 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: 7 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -575.251225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.251225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.251225 (E_RNA) where: Base-Base interactions energy: -349.126 where: short stacking energy: -188.426 Base-Backbone interact. energy: -0.313 local terms energy: -225.812537 where: bonds (distance) C4'-P energy: -45.667 bonds (distance) P-C4' energy: -60.702 flat angles C4'-P-C4' energy: -54.324 flat angles P-C4'-P energy: -30.365 tors. eta vs tors. theta energy: -34.754 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: 9, replica: 6 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -542.989227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.989227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.989227 (E_RNA) where: Base-Base interactions energy: -327.475 where: short stacking energy: -163.805 Base-Backbone interact. energy: 2.070 local terms energy: -217.584188 where: bonds (distance) C4'-P energy: -47.526 bonds (distance) P-C4' energy: -55.408 flat angles C4'-P-C4' energy: -50.242 flat angles P-C4'-P energy: -32.360 tors. eta vs tors. theta energy: -32.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -504.496519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.496519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.496519 (E_RNA) where: Base-Base interactions energy: -299.871 where: short stacking energy: -167.229 Base-Backbone interact. energy: -1.653 local terms energy: -202.971660 where: bonds (distance) C4'-P energy: -50.044 bonds (distance) P-C4' energy: -42.130 flat angles C4'-P-C4' energy: -56.819 flat angles P-C4'-P energy: -13.749 tors. eta vs tors. theta energy: -40.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -1180.799436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.799436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.799436 (E_RNA) where: Base-Base interactions energy: -809.935 where: short stacking energy: -359.995 Base-Backbone interact. energy: -0.035 local terms energy: -370.829887 where: bonds (distance) C4'-P energy: -50.294 bonds (distance) P-C4' energy: -74.659 flat angles C4'-P-C4' energy: -72.445 flat angles P-C4'-P energy: -58.649 tors. eta vs tors. theta energy: -114.783 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: 2, replica: 8 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -1107.201040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.201040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.201040 (E_RNA) where: Base-Base interactions energy: -763.424 where: short stacking energy: -328.373 Base-Backbone interact. energy: -2.379 local terms energy: -341.398152 where: bonds (distance) C4'-P energy: -59.000 bonds (distance) P-C4' energy: -60.301 flat angles C4'-P-C4' energy: -73.024 flat angles P-C4'-P energy: -50.431 tors. eta vs tors. theta energy: -98.641 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: 1 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -1019.684877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.684877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.684877 (E_RNA) where: Base-Base interactions energy: -696.118 where: short stacking energy: -318.837 Base-Backbone interact. energy: -0.013 local terms energy: -323.553780 where: bonds (distance) C4'-P energy: -55.035 bonds (distance) P-C4' energy: -60.980 flat angles C4'-P-C4' energy: -66.114 flat angles P-C4'-P energy: -46.650 tors. eta vs tors. theta energy: -94.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -1017.695101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.695101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.695101 (E_RNA) where: Base-Base interactions energy: -688.324 where: short stacking energy: -292.810 Base-Backbone interact. energy: 1.111 local terms energy: -330.481793 where: bonds (distance) C4'-P energy: -63.443 bonds (distance) P-C4' energy: -63.792 flat angles C4'-P-C4' energy: -62.043 flat angles P-C4'-P energy: -50.968 tors. eta vs tors. theta energy: -90.237 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: 5, replica: 4 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -983.958706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.958706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.958706 (E_RNA) where: Base-Base interactions energy: -671.027 where: short stacking energy: -294.886 Base-Backbone interact. energy: -1.177 local terms energy: -311.753977 where: bonds (distance) C4'-P energy: -52.785 bonds (distance) P-C4' energy: -67.325 flat angles C4'-P-C4' energy: -67.835 flat angles P-C4'-P energy: -37.942 tors. eta vs tors. theta energy: -85.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -877.146237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.146237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.146237 (E_RNA) where: Base-Base interactions energy: -596.161 where: short stacking energy: -287.097 Base-Backbone interact. energy: 0.016 local terms energy: -281.001482 where: bonds (distance) C4'-P energy: -46.764 bonds (distance) P-C4' energy: -56.117 flat angles C4'-P-C4' energy: -63.274 flat angles P-C4'-P energy: -39.557 tors. eta vs tors. theta energy: -75.290 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: 7, replica: 9 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -750.232898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.232898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.232898 (E_RNA) where: Base-Base interactions energy: -492.619 where: short stacking energy: -221.012 Base-Backbone interact. energy: 0.387 local terms energy: -258.001048 where: bonds (distance) C4'-P energy: -50.186 bonds (distance) P-C4' energy: -57.352 flat angles C4'-P-C4' energy: -57.290 flat angles P-C4'-P energy: -42.521 tors. eta vs tors. theta energy: -50.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -545.246601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.246601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.246601 (E_RNA) where: Base-Base interactions energy: -291.038 where: short stacking energy: -149.955 Base-Backbone interact. energy: -1.073 local terms energy: -253.134998 where: bonds (distance) C4'-P energy: -51.443 bonds (distance) P-C4' energy: -66.191 flat angles C4'-P-C4' energy: -62.930 flat angles P-C4'-P energy: -39.191 tors. eta vs tors. theta energy: -33.380 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: 9, replica: 6 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -543.859832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.859832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.859832 (E_RNA) where: Base-Base interactions energy: -318.086 where: short stacking energy: -159.900 Base-Backbone interact. energy: -0.939 local terms energy: -224.834399 where: bonds (distance) C4'-P energy: -45.559 bonds (distance) P-C4' energy: -51.291 flat angles C4'-P-C4' energy: -63.875 flat angles P-C4'-P energy: -35.784 tors. eta vs tors. theta energy: -28.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -530.992402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.992402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.992402 (E_RNA) where: Base-Base interactions energy: -303.519 where: short stacking energy: -126.577 Base-Backbone interact. energy: -1.670 local terms energy: -225.803127 where: bonds (distance) C4'-P energy: -43.580 bonds (distance) P-C4' energy: -66.653 flat angles C4'-P-C4' energy: -54.911 flat angles P-C4'-P energy: -34.606 tors. eta vs tors. theta energy: -26.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -1188.144717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.144717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.144717 (E_RNA) where: Base-Base interactions energy: -832.116 where: short stacking energy: -382.177 Base-Backbone interact. energy: -1.090 local terms energy: -354.938950 where: bonds (distance) C4'-P energy: -67.550 bonds (distance) P-C4' energy: -65.254 flat angles C4'-P-C4' energy: -68.962 flat angles P-C4'-P energy: -39.013 tors. eta vs tors. theta energy: -114.161 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: 8 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -1101.861836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.861836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.861836 (E_RNA) where: Base-Base interactions energy: -752.569 where: short stacking energy: -332.548 Base-Backbone interact. energy: 0.304 local terms energy: -349.596523 where: bonds (distance) C4'-P energy: -68.399 bonds (distance) P-C4' energy: -64.246 flat angles C4'-P-C4' energy: -67.779 flat angles P-C4'-P energy: -49.646 tors. eta vs tors. theta energy: -99.526 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: 440 Temperature: 1.000000 Total energy: -1045.838009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.838009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.838009 (E_RNA) where: Base-Base interactions energy: -702.732 where: short stacking energy: -317.549 Base-Backbone interact. energy: -0.642 local terms energy: -342.463653 where: bonds (distance) C4'-P energy: -56.711 bonds (distance) P-C4' energy: -67.291 flat angles C4'-P-C4' energy: -76.430 flat angles P-C4'-P energy: -46.486 tors. eta vs tors. theta energy: -95.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -985.072671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.072671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.072671 (E_RNA) where: Base-Base interactions energy: -677.174 where: short stacking energy: -277.391 Base-Backbone interact. energy: -1.202 local terms energy: -306.696840 where: bonds (distance) C4'-P energy: -52.188 bonds (distance) P-C4' energy: -56.673 flat angles C4'-P-C4' energy: -61.028 flat angles P-C4'-P energy: -51.441 tors. eta vs tors. theta energy: -85.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -967.361578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.361578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.361578 (E_RNA) where: Base-Base interactions energy: -651.735 where: short stacking energy: -287.083 Base-Backbone interact. energy: -2.967 local terms energy: -312.659501 where: bonds (distance) C4'-P energy: -48.580 bonds (distance) P-C4' energy: -70.461 flat angles C4'-P-C4' energy: -67.689 flat angles P-C4'-P energy: -47.242 tors. eta vs tors. theta energy: -78.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -869.648005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.648005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.648005 (E_RNA) where: Base-Base interactions energy: -582.229 where: short stacking energy: -267.525 Base-Backbone interact. energy: 0.023 local terms energy: -287.442178 where: bonds (distance) C4'-P energy: -54.377 bonds (distance) P-C4' energy: -54.990 flat angles C4'-P-C4' energy: -58.335 flat angles P-C4'-P energy: -43.473 tors. eta vs tors. theta energy: -76.267 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: 9 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -774.288598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.288598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.288598 (E_RNA) where: Base-Base interactions energy: -522.489 where: short stacking energy: -218.236 Base-Backbone interact. energy: -0.339 local terms energy: -251.461348 where: bonds (distance) C4'-P energy: -56.648 bonds (distance) P-C4' energy: -47.247 flat angles C4'-P-C4' energy: -54.096 flat angles P-C4'-P energy: -34.016 tors. eta vs tors. theta energy: -59.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -559.983290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.983290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.983290 (E_RNA) where: Base-Base interactions energy: -346.933 where: short stacking energy: -170.480 Base-Backbone interact. energy: 0.616 local terms energy: -213.666204 where: bonds (distance) C4'-P energy: -45.874 bonds (distance) P-C4' energy: -49.324 flat angles C4'-P-C4' energy: -53.153 flat angles P-C4'-P energy: -34.288 tors. eta vs tors. theta energy: -31.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -528.199481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.199481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.199481 (E_RNA) where: Base-Base interactions energy: -307.466 where: short stacking energy: -153.707 Base-Backbone interact. energy: -0.972 local terms energy: -219.762066 where: bonds (distance) C4'-P energy: -55.336 bonds (distance) P-C4' energy: -53.678 flat angles C4'-P-C4' energy: -51.339 flat angles P-C4'-P energy: -33.599 tors. eta vs tors. theta energy: -25.811 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: 440 Temperature: 1.350000 Total energy: -473.951316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.951316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.951316 (E_RNA) where: Base-Base interactions energy: -283.504 where: short stacking energy: -136.061 Base-Backbone interact. energy: -1.512 local terms energy: -188.934820 where: bonds (distance) C4'-P energy: -48.557 bonds (distance) P-C4' energy: -61.003 flat angles C4'-P-C4' energy: -46.988 flat angles P-C4'-P energy: -19.595 tors. eta vs tors. theta energy: -12.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -1179.855880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.855880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.855880 (E_RNA) where: Base-Base interactions energy: -817.332 where: short stacking energy: -373.797 Base-Backbone interact. energy: -1.218 local terms energy: -361.305913 where: bonds (distance) C4'-P energy: -55.949 bonds (distance) P-C4' energy: -71.679 flat angles C4'-P-C4' energy: -71.244 flat angles P-C4'-P energy: -53.214 tors. eta vs tors. theta energy: -109.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -1117.148575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.148575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.148575 (E_RNA) where: Base-Base interactions energy: -774.076 where: short stacking energy: -333.408 Base-Backbone interact. energy: -2.585 local terms energy: -340.487336 where: bonds (distance) C4'-P energy: -59.064 bonds (distance) P-C4' energy: -65.661 flat angles C4'-P-C4' energy: -70.308 flat angles P-C4'-P energy: -49.213 tors. eta vs tors. theta energy: -96.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -1051.244035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.244035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.244035 (E_RNA) where: Base-Base interactions energy: -705.093 where: short stacking energy: -311.730 Base-Backbone interact. energy: -0.864 local terms energy: -345.286456 where: bonds (distance) C4'-P energy: -65.362 bonds (distance) P-C4' energy: -60.237 flat angles C4'-P-C4' energy: -78.509 flat angles P-C4'-P energy: -48.330 tors. eta vs tors. theta energy: -92.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -1003.520015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.520015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.520015 (E_RNA) where: Base-Base interactions energy: -679.220 where: short stacking energy: -283.327 Base-Backbone interact. energy: -0.078 local terms energy: -324.221841 where: bonds (distance) C4'-P energy: -59.413 bonds (distance) P-C4' energy: -64.650 flat angles C4'-P-C4' energy: -69.935 flat angles P-C4'-P energy: -41.142 tors. eta vs tors. theta energy: -89.081 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: 4 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -929.940089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.940089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.940089 (E_RNA) where: Base-Base interactions energy: -616.631 where: short stacking energy: -262.301 Base-Backbone interact. energy: -1.097 local terms energy: -312.211608 where: bonds (distance) C4'-P energy: -61.474 bonds (distance) P-C4' energy: -64.873 flat angles C4'-P-C4' energy: -59.107 flat angles P-C4'-P energy: -44.542 tors. eta vs tors. theta energy: -82.215 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: 10 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -869.073691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.073691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.073691 (E_RNA) where: Base-Base interactions energy: -569.961 where: short stacking energy: -266.613 Base-Backbone interact. energy: -2.018 local terms energy: -297.095014 where: bonds (distance) C4'-P energy: -67.755 bonds (distance) P-C4' energy: -67.853 flat angles C4'-P-C4' energy: -63.747 flat angles P-C4'-P energy: -30.638 tors. eta vs tors. theta energy: -67.102 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: 9 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -791.975207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.975207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.975207 (E_RNA) where: Base-Base interactions energy: -516.038 where: short stacking energy: -230.733 Base-Backbone interact. energy: -1.247 local terms energy: -274.690170 where: bonds (distance) C4'-P energy: -54.434 bonds (distance) P-C4' energy: -56.938 flat angles C4'-P-C4' energy: -57.684 flat angles P-C4'-P energy: -40.909 tors. eta vs tors. theta energy: -64.725 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: 8, replica: 6 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -546.169401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.169401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.169401 (E_RNA) where: Base-Base interactions energy: -318.448 where: short stacking energy: -159.609 Base-Backbone interact. energy: 3.102 local terms energy: -230.823428 where: bonds (distance) C4'-P energy: -48.114 bonds (distance) P-C4' energy: -55.889 flat angles C4'-P-C4' energy: -53.435 flat angles P-C4'-P energy: -42.669 tors. eta vs tors. theta energy: -30.717 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: 7 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -542.316708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.316708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.316708 (E_RNA) where: Base-Base interactions energy: -329.520 where: short stacking energy: -169.180 Base-Backbone interact. energy: -0.992 local terms energy: -211.804493 where: bonds (distance) C4'-P energy: -44.962 bonds (distance) P-C4' energy: -60.395 flat angles C4'-P-C4' energy: -46.898 flat angles P-C4'-P energy: -29.766 tors. eta vs tors. theta energy: -29.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -268.813358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.813358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.813358 (E_RNA) where: Base-Base interactions energy: -109.899 where: short stacking energy: -91.508 Base-Backbone interact. energy: 2.209 local terms energy: -161.123882 where: bonds (distance) C4'-P energy: -53.786 bonds (distance) P-C4' energy: -46.861 flat angles C4'-P-C4' energy: -42.692 flat angles P-C4'-P energy: -27.056 tors. eta vs tors. theta energy: 9.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -1192.772818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.772818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.772818 (E_RNA) where: Base-Base interactions energy: -823.222 where: short stacking energy: -374.061 Base-Backbone interact. energy: -1.775 local terms energy: -367.776081 where: bonds (distance) C4'-P energy: -61.326 bonds (distance) P-C4' energy: -66.948 flat angles C4'-P-C4' energy: -70.790 flat angles P-C4'-P energy: -49.607 tors. eta vs tors. theta energy: -119.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -1116.091776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.091776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.091776 (E_RNA) where: Base-Base interactions energy: -780.358 where: short stacking energy: -335.503 Base-Backbone interact. energy: -1.489 local terms energy: -334.245004 where: bonds (distance) C4'-P energy: -63.100 bonds (distance) P-C4' energy: -61.705 flat angles C4'-P-C4' energy: -69.473 flat angles P-C4'-P energy: -35.847 tors. eta vs tors. theta energy: -104.120 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: 1 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -1037.296367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.296367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.296367 (E_RNA) where: Base-Base interactions energy: -695.348 where: short stacking energy: -313.390 Base-Backbone interact. energy: -1.007 local terms energy: -340.941721 where: bonds (distance) C4'-P energy: -69.683 bonds (distance) P-C4' energy: -64.352 flat angles C4'-P-C4' energy: -67.125 flat angles P-C4'-P energy: -47.870 tors. eta vs tors. theta energy: -91.911 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: 442 Temperature: 1.050000 Total energy: -1018.328306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.328306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.328306 (E_RNA) where: Base-Base interactions energy: -686.640 where: short stacking energy: -313.318 Base-Backbone interact. energy: 0.502 local terms energy: -332.190677 where: bonds (distance) C4'-P energy: -60.806 bonds (distance) P-C4' energy: -64.005 flat angles C4'-P-C4' energy: -73.745 flat angles P-C4'-P energy: -45.138 tors. eta vs tors. theta energy: -88.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -918.093984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.093984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.093984 (E_RNA) where: Base-Base interactions energy: -602.875 where: short stacking energy: -274.534 Base-Backbone interact. energy: -1.000 local terms energy: -314.218559 where: bonds (distance) C4'-P energy: -68.151 bonds (distance) P-C4' energy: -64.942 flat angles C4'-P-C4' energy: -66.112 flat angles P-C4'-P energy: -42.030 tors. eta vs tors. theta energy: -72.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -843.074402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.074402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.074402 (E_RNA) where: Base-Base interactions energy: -547.856 where: short stacking energy: -238.626 Base-Backbone interact. energy: -0.174 local terms energy: -295.043973 where: bonds (distance) C4'-P energy: -55.780 bonds (distance) P-C4' energy: -59.402 flat angles C4'-P-C4' energy: -63.053 flat angles P-C4'-P energy: -38.598 tors. eta vs tors. theta energy: -78.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -769.130659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.130659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.130659 (E_RNA) where: Base-Base interactions energy: -488.804 where: short stacking energy: -207.235 Base-Backbone interact. energy: -1.162 local terms energy: -279.164117 where: bonds (distance) C4'-P energy: -60.563 bonds (distance) P-C4' energy: -60.147 flat angles C4'-P-C4' energy: -57.137 flat angles P-C4'-P energy: -43.462 tors. eta vs tors. theta energy: -57.855 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: 8, replica: 6 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -592.622515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.622515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.622515 (E_RNA) where: Base-Base interactions energy: -364.066 where: short stacking energy: -187.829 Base-Backbone interact. energy: 0.898 local terms energy: -229.454404 where: bonds (distance) C4'-P energy: -50.442 bonds (distance) P-C4' energy: -52.338 flat angles C4'-P-C4' energy: -58.611 flat angles P-C4'-P energy: -29.294 tors. eta vs tors. theta energy: -38.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -519.220641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.220641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.220641 (E_RNA) where: Base-Base interactions energy: -295.491 where: short stacking energy: -161.939 Base-Backbone interact. energy: -0.759 local terms energy: -222.971240 where: bonds (distance) C4'-P energy: -43.423 bonds (distance) P-C4' energy: -53.857 flat angles C4'-P-C4' energy: -49.793 flat angles P-C4'-P energy: -37.686 tors. eta vs tors. theta energy: -38.213 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: 5 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -264.815958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.815958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.815958 (E_RNA) where: Base-Base interactions energy: -107.832 where: short stacking energy: -64.865 Base-Backbone interact. energy: -3.450 local terms energy: -153.533798 where: bonds (distance) C4'-P energy: -51.601 bonds (distance) P-C4' energy: -39.506 flat angles C4'-P-C4' energy: -49.580 flat angles P-C4'-P energy: -25.967 tors. eta vs tors. theta energy: 13.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -1190.066495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.066495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.066495 (E_RNA) where: Base-Base interactions energy: -816.133 where: short stacking energy: -361.326 Base-Backbone interact. energy: -1.982 local terms energy: -371.951332 where: bonds (distance) C4'-P energy: -67.816 bonds (distance) P-C4' energy: -67.831 flat angles C4'-P-C4' energy: -68.165 flat angles P-C4'-P energy: -52.252 tors. eta vs tors. theta energy: -115.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -1106.109267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.109267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.109267 (E_RNA) where: Base-Base interactions energy: -753.202 where: short stacking energy: -322.314 Base-Backbone interact. energy: -1.474 local terms energy: -351.433498 where: bonds (distance) C4'-P energy: -63.017 bonds (distance) P-C4' energy: -70.913 flat angles C4'-P-C4' energy: -78.970 flat angles P-C4'-P energy: -42.284 tors. eta vs tors. theta energy: -96.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -1038.279929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.279929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.279929 (E_RNA) where: Base-Base interactions energy: -682.021 where: short stacking energy: -304.301 Base-Backbone interact. energy: -1.338 local terms energy: -354.920765 where: bonds (distance) C4'-P energy: -62.500 bonds (distance) P-C4' energy: -62.904 flat angles C4'-P-C4' energy: -73.609 flat angles P-C4'-P energy: -54.794 tors. eta vs tors. theta energy: -101.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -1008.658640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.658640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.658640 (E_RNA) where: Base-Base interactions energy: -700.425 where: short stacking energy: -287.525 Base-Backbone interact. energy: 1.370 local terms energy: -309.604074 where: bonds (distance) C4'-P energy: -58.825 bonds (distance) P-C4' energy: -55.177 flat angles C4'-P-C4' energy: -69.945 flat angles P-C4'-P energy: -43.129 tors. eta vs tors. theta energy: -82.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -931.733294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.733294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.733294 (E_RNA) where: Base-Base interactions energy: -628.006 where: short stacking energy: -279.603 Base-Backbone interact. energy: -1.901 local terms energy: -301.825830 where: bonds (distance) C4'-P energy: -53.548 bonds (distance) P-C4' energy: -57.189 flat angles C4'-P-C4' energy: -71.750 flat angles P-C4'-P energy: -42.372 tors. eta vs tors. theta energy: -76.966 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: 10 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -810.318450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.318450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.318450 (E_RNA) where: Base-Base interactions energy: -553.710 where: short stacking energy: -244.925 Base-Backbone interact. energy: -2.400 local terms energy: -254.208412 where: bonds (distance) C4'-P energy: -50.673 bonds (distance) P-C4' energy: -58.646 flat angles C4'-P-C4' energy: -49.240 flat angles P-C4'-P energy: -28.346 tors. eta vs tors. theta energy: -67.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -744.997908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.997908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.997908 (E_RNA) where: Base-Base interactions energy: -495.035 where: short stacking energy: -233.915 Base-Backbone interact. energy: -0.949 local terms energy: -249.013506 where: bonds (distance) C4'-P energy: -49.007 bonds (distance) P-C4' energy: -50.784 flat angles C4'-P-C4' energy: -60.593 flat angles P-C4'-P energy: -29.429 tors. eta vs tors. theta energy: -59.201 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: 6 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -586.154275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.154275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.154275 (E_RNA) where: Base-Base interactions energy: -357.435 where: short stacking energy: -166.006 Base-Backbone interact. energy: -1.689 local terms energy: -227.030963 where: bonds (distance) C4'-P energy: -49.773 bonds (distance) P-C4' energy: -55.141 flat angles C4'-P-C4' energy: -56.680 flat angles P-C4'-P energy: -32.397 tors. eta vs tors. theta energy: -33.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -517.310886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.310886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.310886 (E_RNA) where: Base-Base interactions energy: -286.857 where: short stacking energy: -136.675 Base-Backbone interact. energy: -1.882 local terms energy: -228.571747 where: bonds (distance) C4'-P energy: -61.162 bonds (distance) P-C4' energy: -61.545 flat angles C4'-P-C4' energy: -47.836 flat angles P-C4'-P energy: -37.780 tors. eta vs tors. theta energy: -20.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -251.330235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -251.330235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -251.330235 (E_RNA) where: Base-Base interactions energy: -84.960 where: short stacking energy: -58.001 Base-Backbone interact. energy: 0.021 local terms energy: -166.391719 where: bonds (distance) C4'-P energy: -51.578 bonds (distance) P-C4' energy: -64.904 flat angles C4'-P-C4' energy: -41.283 flat angles P-C4'-P energy: -18.366 tors. eta vs tors. theta energy: 9.739 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: 1, replica: 2 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -1198.002290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.002290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.002290 (E_RNA) where: Base-Base interactions energy: -813.824 where: short stacking energy: -357.691 Base-Backbone interact. energy: -0.762 local terms energy: -383.416119 where: bonds (distance) C4'-P energy: -60.108 bonds (distance) P-C4' energy: -71.493 flat angles C4'-P-C4' energy: -77.083 flat angles P-C4'-P energy: -60.068 tors. eta vs tors. theta energy: -114.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -1099.149190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.149190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.149190 (E_RNA) where: Base-Base interactions energy: -756.468 where: short stacking energy: -315.631 Base-Backbone interact. energy: -1.030 local terms energy: -341.651414 where: bonds (distance) C4'-P energy: -63.540 bonds (distance) P-C4' energy: -61.434 flat angles C4'-P-C4' energy: -73.050 flat angles P-C4'-P energy: -45.553 tors. eta vs tors. theta energy: -98.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -1041.277566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.277566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.277566 (E_RNA) where: Base-Base interactions energy: -720.910 where: short stacking energy: -326.159 Base-Backbone interact. energy: 0.915 local terms energy: -321.282464 where: bonds (distance) C4'-P energy: -48.646 bonds (distance) P-C4' energy: -65.139 flat angles C4'-P-C4' energy: -67.538 flat angles P-C4'-P energy: -48.626 tors. eta vs tors. theta energy: -91.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -1017.240859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.240859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.240859 (E_RNA) where: Base-Base interactions energy: -699.162 where: short stacking energy: -298.449 Base-Backbone interact. energy: -1.166 local terms energy: -316.912688 where: bonds (distance) C4'-P energy: -62.217 bonds (distance) P-C4' energy: -54.808 flat angles C4'-P-C4' energy: -70.687 flat angles P-C4'-P energy: -43.833 tors. eta vs tors. theta energy: -85.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -941.310420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.310420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.310420 (E_RNA) where: Base-Base interactions energy: -648.605 where: short stacking energy: -292.531 Base-Backbone interact. energy: -0.058 local terms energy: -292.647462 where: bonds (distance) C4'-P energy: -56.718 bonds (distance) P-C4' energy: -56.171 flat angles C4'-P-C4' energy: -70.112 flat angles P-C4'-P energy: -39.935 tors. eta vs tors. theta energy: -69.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -820.573628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.573628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.573628 (E_RNA) where: Base-Base interactions energy: -547.874 where: short stacking energy: -237.786 Base-Backbone interact. energy: 3.118 local terms energy: -275.818218 where: bonds (distance) C4'-P energy: -52.674 bonds (distance) P-C4' energy: -66.908 flat angles C4'-P-C4' energy: -58.657 flat angles P-C4'-P energy: -36.060 tors. eta vs tors. theta energy: -61.519 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: 444 Temperature: 1.200000 Total energy: -743.411360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.411360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.411360 (E_RNA) where: Base-Base interactions energy: -460.981 where: short stacking energy: -217.099 Base-Backbone interact. energy: -1.276 local terms energy: -281.154731 where: bonds (distance) C4'-P energy: -50.396 bonds (distance) P-C4' energy: -66.202 flat angles C4'-P-C4' energy: -58.436 flat angles P-C4'-P energy: -48.039 tors. eta vs tors. theta energy: -58.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -611.470512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.470512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.470512 (E_RNA) where: Base-Base interactions energy: -372.908 where: short stacking energy: -202.441 Base-Backbone interact. energy: 0.210 local terms energy: -238.772477 where: bonds (distance) C4'-P energy: -58.916 bonds (distance) P-C4' energy: -57.623 flat angles C4'-P-C4' energy: -60.580 flat angles P-C4'-P energy: -24.567 tors. eta vs tors. theta energy: -37.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -542.056017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.056017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.056017 (E_RNA) where: Base-Base interactions energy: -308.922 where: short stacking energy: -156.272 Base-Backbone interact. energy: -0.362 local terms energy: -232.772200 where: bonds (distance) C4'-P energy: -56.170 bonds (distance) P-C4' energy: -63.670 flat angles C4'-P-C4' energy: -48.011 flat angles P-C4'-P energy: -43.113 tors. eta vs tors. theta energy: -21.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -285.118298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.118298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.118298 (E_RNA) where: Base-Base interactions energy: -88.344 where: short stacking energy: -71.919 Base-Backbone interact. energy: -0.516 local terms energy: -196.257680 where: bonds (distance) C4'-P energy: -50.979 bonds (distance) P-C4' energy: -54.645 flat angles C4'-P-C4' energy: -47.911 flat angles P-C4'-P energy: -37.295 tors. eta vs tors. theta energy: -5.428 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: 2 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -1196.916519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.916519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.916519 (E_RNA) where: Base-Base interactions energy: -816.909 where: short stacking energy: -352.755 Base-Backbone interact. energy: -1.216 local terms energy: -378.791227 where: bonds (distance) C4'-P energy: -62.375 bonds (distance) P-C4' energy: -68.618 flat angles C4'-P-C4' energy: -75.397 flat angles P-C4'-P energy: -56.398 tors. eta vs tors. theta energy: -116.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -1093.299115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.299115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.299115 (E_RNA) where: Base-Base interactions energy: -770.875 where: short stacking energy: -311.616 Base-Backbone interact. energy: -0.936 local terms energy: -321.488169 where: bonds (distance) C4'-P energy: -63.351 bonds (distance) P-C4' energy: -57.411 flat angles C4'-P-C4' energy: -67.331 flat angles P-C4'-P energy: -35.133 tors. eta vs tors. theta energy: -98.262 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: 1 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -1035.385789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.385789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.385789 (E_RNA) where: Base-Base interactions energy: -715.118 where: short stacking energy: -295.551 Base-Backbone interact. energy: -1.290 local terms energy: -318.978001 where: bonds (distance) C4'-P energy: -57.808 bonds (distance) P-C4' energy: -57.052 flat angles C4'-P-C4' energy: -70.826 flat angles P-C4'-P energy: -41.336 tors. eta vs tors. theta energy: -91.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -984.815564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.815564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.815564 (E_RNA) where: Base-Base interactions energy: -677.341 where: short stacking energy: -296.140 Base-Backbone interact. energy: -2.409 local terms energy: -305.065968 where: bonds (distance) C4'-P energy: -48.619 bonds (distance) P-C4' energy: -54.001 flat angles C4'-P-C4' energy: -75.023 flat angles P-C4'-P energy: -44.192 tors. eta vs tors. theta energy: -83.232 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: 445 Temperature: 1.100000 Total energy: -922.897813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.897813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.897813 (E_RNA) where: Base-Base interactions energy: -626.320 where: short stacking energy: -279.310 Base-Backbone interact. energy: -2.196 local terms energy: -294.382551 where: bonds (distance) C4'-P energy: -60.427 bonds (distance) P-C4' energy: -53.454 flat angles C4'-P-C4' energy: -58.250 flat angles P-C4'-P energy: -45.116 tors. eta vs tors. theta energy: -77.135 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: 10 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -799.735209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.735209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.735209 (E_RNA) where: Base-Base interactions energy: -521.026 where: short stacking energy: -230.182 Base-Backbone interact. energy: 0.394 local terms energy: -279.103737 where: bonds (distance) C4'-P energy: -61.844 bonds (distance) P-C4' energy: -47.412 flat angles C4'-P-C4' energy: -70.433 flat angles P-C4'-P energy: -43.764 tors. eta vs tors. theta energy: -55.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -752.583830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.583830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.583830 (E_RNA) where: Base-Base interactions energy: -480.690 where: short stacking energy: -213.054 Base-Backbone interact. energy: -1.908 local terms energy: -269.985738 where: bonds (distance) C4'-P energy: -55.939 bonds (distance) P-C4' energy: -55.230 flat angles C4'-P-C4' energy: -61.387 flat angles P-C4'-P energy: -45.976 tors. eta vs tors. theta energy: -51.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -618.729628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.729628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.729628 (E_RNA) where: Base-Base interactions energy: -370.748 where: short stacking energy: -187.858 Base-Backbone interact. energy: -0.534 local terms energy: -247.447933 where: bonds (distance) C4'-P energy: -57.877 bonds (distance) P-C4' energy: -49.692 flat angles C4'-P-C4' energy: -64.196 flat angles P-C4'-P energy: -29.491 tors. eta vs tors. theta energy: -46.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -560.088837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.088837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.088837 (E_RNA) where: Base-Base interactions energy: -334.285 where: short stacking energy: -151.411 Base-Backbone interact. energy: -0.479 local terms energy: -225.325166 where: bonds (distance) C4'-P energy: -47.559 bonds (distance) P-C4' energy: -57.623 flat angles C4'-P-C4' energy: -52.007 flat angles P-C4'-P energy: -37.496 tors. eta vs tors. theta energy: -30.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -245.707819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -245.707819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -245.707819 (E_RNA) where: Base-Base interactions energy: -82.623 where: short stacking energy: -72.986 Base-Backbone interact. energy: -0.830 local terms energy: -162.255081 where: bonds (distance) C4'-P energy: -34.776 bonds (distance) P-C4' energy: -51.383 flat angles C4'-P-C4' energy: -53.209 flat angles P-C4'-P energy: -28.812 tors. eta vs tors. theta energy: 5.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -1178.467301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.467301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.467301 (E_RNA) where: Base-Base interactions energy: -803.793 where: short stacking energy: -346.447 Base-Backbone interact. energy: -1.083 local terms energy: -373.591169 where: bonds (distance) C4'-P energy: -65.867 bonds (distance) P-C4' energy: -70.714 flat angles C4'-P-C4' energy: -68.221 flat angles P-C4'-P energy: -53.822 tors. eta vs tors. theta energy: -114.968 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: 8 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -1096.438089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.438089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.438089 (E_RNA) where: Base-Base interactions energy: -757.776 where: short stacking energy: -323.086 Base-Backbone interact. energy: -0.945 local terms energy: -337.717012 where: bonds (distance) C4'-P energy: -65.334 bonds (distance) P-C4' energy: -65.743 flat angles C4'-P-C4' energy: -70.914 flat angles P-C4'-P energy: -43.142 tors. eta vs tors. theta energy: -92.584 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: 1 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -1064.290631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.290631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.290631 (E_RNA) where: Base-Base interactions energy: -722.540 where: short stacking energy: -318.994 Base-Backbone interact. energy: -0.048 local terms energy: -341.702916 where: bonds (distance) C4'-P energy: -56.488 bonds (distance) P-C4' energy: -65.860 flat angles C4'-P-C4' energy: -67.600 flat angles P-C4'-P energy: -53.519 tors. eta vs tors. theta energy: -98.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -957.787723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.787723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.787723 (E_RNA) where: Base-Base interactions energy: -649.407 where: short stacking energy: -294.008 Base-Backbone interact. energy: 1.526 local terms energy: -309.906745 where: bonds (distance) C4'-P energy: -58.804 bonds (distance) P-C4' energy: -57.306 flat angles C4'-P-C4' energy: -60.251 flat angles P-C4'-P energy: -46.793 tors. eta vs tors. theta energy: -86.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -942.977965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.977965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.977965 (E_RNA) where: Base-Base interactions energy: -630.997 where: short stacking energy: -283.963 Base-Backbone interact. energy: -1.930 local terms energy: -310.050688 where: bonds (distance) C4'-P energy: -52.012 bonds (distance) P-C4' energy: -59.058 flat angles C4'-P-C4' energy: -66.753 flat angles P-C4'-P energy: -42.403 tors. eta vs tors. theta energy: -89.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -838.146032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.146032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.146032 (E_RNA) where: Base-Base interactions energy: -556.561 where: short stacking energy: -255.691 Base-Backbone interact. energy: 1.612 local terms energy: -283.196836 where: bonds (distance) C4'-P energy: -50.492 bonds (distance) P-C4' energy: -51.255 flat angles C4'-P-C4' energy: -61.182 flat angles P-C4'-P energy: -43.528 tors. eta vs tors. theta energy: -76.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -769.151007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.151007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.151007 (E_RNA) where: Base-Base interactions energy: -502.887 where: short stacking energy: -213.817 Base-Backbone interact. energy: -0.406 local terms energy: -265.857814 where: bonds (distance) C4'-P energy: -57.679 bonds (distance) P-C4' energy: -54.950 flat angles C4'-P-C4' energy: -56.453 flat angles P-C4'-P energy: -45.369 tors. eta vs tors. theta energy: -51.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -608.065497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.065497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.065497 (E_RNA) where: Base-Base interactions energy: -375.524 where: short stacking energy: -176.367 Base-Backbone interact. energy: -1.699 local terms energy: -230.842383 where: bonds (distance) C4'-P energy: -57.967 bonds (distance) P-C4' energy: -53.240 flat angles C4'-P-C4' energy: -51.006 flat angles P-C4'-P energy: -30.226 tors. eta vs tors. theta energy: -38.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -536.528863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.528863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.528863 (E_RNA) where: Base-Base interactions energy: -304.944 where: short stacking energy: -140.311 Base-Backbone interact. energy: -0.899 local terms energy: -230.685428 where: bonds (distance) C4'-P energy: -54.819 bonds (distance) P-C4' energy: -61.645 flat angles C4'-P-C4' energy: -50.111 flat angles P-C4'-P energy: -36.982 tors. eta vs tors. theta energy: -27.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -285.054878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.054878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.054878 (E_RNA) where: Base-Base interactions energy: -114.234 where: short stacking energy: -82.799 Base-Backbone interact. energy: -0.328 local terms energy: -170.492725 where: bonds (distance) C4'-P energy: -50.187 bonds (distance) P-C4' energy: -54.985 flat angles C4'-P-C4' energy: -36.654 flat angles P-C4'-P energy: -28.361 tors. eta vs tors. theta energy: -0.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -1170.716013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.716013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.716013 (E_RNA) where: Base-Base interactions energy: -818.692 where: short stacking energy: -368.050 Base-Backbone interact. energy: -0.871 local terms energy: -351.153050 where: bonds (distance) C4'-P energy: -63.733 bonds (distance) P-C4' energy: -54.317 flat angles C4'-P-C4' energy: -70.376 flat angles P-C4'-P energy: -45.710 tors. eta vs tors. theta energy: -117.017 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: 1 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -1064.997716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.997716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.997716 (E_RNA) where: Base-Base interactions energy: -717.736 where: short stacking energy: -337.870 Base-Backbone interact. energy: -0.343 local terms energy: -346.918595 where: bonds (distance) C4'-P energy: -66.115 bonds (distance) P-C4' energy: -64.323 flat angles C4'-P-C4' energy: -73.936 flat angles P-C4'-P energy: -45.361 tors. eta vs tors. theta energy: -97.184 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: 3, replica: 8 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -1096.197664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.197664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.197664 (E_RNA) where: Base-Base interactions energy: -771.084 where: short stacking energy: -319.030 Base-Backbone interact. energy: -1.216 local terms energy: -323.897708 where: bonds (distance) C4'-P energy: -48.296 bonds (distance) P-C4' energy: -67.020 flat angles C4'-P-C4' energy: -67.311 flat angles P-C4'-P energy: -48.220 tors. eta vs tors. theta energy: -93.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -980.776583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.776583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.776583 (E_RNA) where: Base-Base interactions energy: -661.261 where: short stacking energy: -288.188 Base-Backbone interact. energy: -1.069 local terms energy: -318.446689 where: bonds (distance) C4'-P energy: -59.466 bonds (distance) P-C4' energy: -59.041 flat angles C4'-P-C4' energy: -58.495 flat angles P-C4'-P energy: -47.373 tors. eta vs tors. theta energy: -94.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -954.218748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.218748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.218748 (E_RNA) where: Base-Base interactions energy: -642.221 where: short stacking energy: -277.838 Base-Backbone interact. energy: -1.984 local terms energy: -310.013662 where: bonds (distance) C4'-P energy: -50.992 bonds (distance) P-C4' energy: -69.775 flat angles C4'-P-C4' energy: -67.209 flat angles P-C4'-P energy: -42.864 tors. eta vs tors. theta energy: -79.174 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: 447 Temperature: 1.150000 Total energy: -846.851367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.851367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.851367 (E_RNA) where: Base-Base interactions energy: -567.963 where: short stacking energy: -272.023 Base-Backbone interact. energy: -0.868 local terms energy: -278.020457 where: bonds (distance) C4'-P energy: -46.185 bonds (distance) P-C4' energy: -62.177 flat angles C4'-P-C4' energy: -56.637 flat angles P-C4'-P energy: -39.134 tors. eta vs tors. theta energy: -73.888 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: 9 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -777.370356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.370356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.370356 (E_RNA) where: Base-Base interactions energy: -512.751 where: short stacking energy: -215.960 Base-Backbone interact. energy: -0.125 local terms energy: -264.494718 where: bonds (distance) C4'-P energy: -50.183 bonds (distance) P-C4' energy: -65.389 flat angles C4'-P-C4' energy: -56.748 flat angles P-C4'-P energy: -31.159 tors. eta vs tors. theta energy: -61.015 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: 7 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -663.652137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.652137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.652137 (E_RNA) where: Base-Base interactions energy: -436.069 where: short stacking energy: -202.677 Base-Backbone interact. energy: -1.143 local terms energy: -226.440276 where: bonds (distance) C4'-P energy: -47.818 bonds (distance) P-C4' energy: -58.323 flat angles C4'-P-C4' energy: -40.676 flat angles P-C4'-P energy: -38.650 tors. eta vs tors. theta energy: -40.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -545.150829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.150829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.150829 (E_RNA) where: Base-Base interactions energy: -322.798 where: short stacking energy: -171.510 Base-Backbone interact. energy: 0.336 local terms energy: -222.688640 where: bonds (distance) C4'-P energy: -50.689 bonds (distance) P-C4' energy: -50.605 flat angles C4'-P-C4' energy: -51.384 flat angles P-C4'-P energy: -35.215 tors. eta vs tors. theta energy: -34.795 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: 447 Temperature: 1.350000 Total energy: -342.435931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.435931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.435931 (E_RNA) where: Base-Base interactions energy: -152.104 where: short stacking energy: -100.316 Base-Backbone interact. energy: -1.396 local terms energy: -188.935980 where: bonds (distance) C4'-P energy: -55.434 bonds (distance) P-C4' energy: -59.313 flat angles C4'-P-C4' energy: -47.628 flat angles P-C4'-P energy: -40.292 tors. eta vs tors. theta energy: 13.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -1169.968081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.968081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.968081 (E_RNA) where: Base-Base interactions energy: -804.106 where: short stacking energy: -359.364 Base-Backbone interact. energy: -0.497 local terms energy: -365.364739 where: bonds (distance) C4'-P energy: -65.135 bonds (distance) P-C4' energy: -57.980 flat angles C4'-P-C4' energy: -76.819 flat angles P-C4'-P energy: -50.137 tors. eta vs tors. theta energy: -115.294 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: 1 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -1077.160982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.160982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.160982 (E_RNA) where: Base-Base interactions energy: -749.737 where: short stacking energy: -322.849 Base-Backbone interact. energy: -0.676 local terms energy: -326.748804 where: bonds (distance) C4'-P energy: -58.617 bonds (distance) P-C4' energy: -63.413 flat angles C4'-P-C4' energy: -67.886 flat angles P-C4'-P energy: -43.864 tors. eta vs tors. theta energy: -92.970 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: 8 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -1083.427584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.427584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.427584 (E_RNA) where: Base-Base interactions energy: -766.054 where: short stacking energy: -293.264 Base-Backbone interact. energy: 0.005 local terms energy: -317.378674 where: bonds (distance) C4'-P energy: -52.696 bonds (distance) P-C4' energy: -64.333 flat angles C4'-P-C4' energy: -63.163 flat angles P-C4'-P energy: -47.733 tors. eta vs tors. theta energy: -89.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -982.139263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.139263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.139263 (E_RNA) where: Base-Base interactions energy: -681.485 where: short stacking energy: -291.584 Base-Backbone interact. energy: -2.042 local terms energy: -298.611714 where: bonds (distance) C4'-P energy: -44.538 bonds (distance) P-C4' energy: -56.373 flat angles C4'-P-C4' energy: -68.635 flat angles P-C4'-P energy: -42.679 tors. eta vs tors. theta energy: -86.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -916.487581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.487581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.487581 (E_RNA) where: Base-Base interactions energy: -619.757 where: short stacking energy: -270.012 Base-Backbone interact. energy: -1.363 local terms energy: -295.367038 where: bonds (distance) C4'-P energy: -60.938 bonds (distance) P-C4' energy: -63.735 flat angles C4'-P-C4' energy: -62.726 flat angles P-C4'-P energy: -36.620 tors. eta vs tors. theta energy: -71.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -899.242775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.242775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.242775 (E_RNA) where: Base-Base interactions energy: -613.382 where: short stacking energy: -270.765 Base-Backbone interact. energy: -0.305 local terms energy: -285.555305 where: bonds (distance) C4'-P energy: -47.560 bonds (distance) P-C4' energy: -48.821 flat angles C4'-P-C4' energy: -65.955 flat angles P-C4'-P energy: -41.762 tors. eta vs tors. theta energy: -81.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -764.654903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.654903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.654903 (E_RNA) where: Base-Base interactions energy: -501.885 where: short stacking energy: -220.126 Base-Backbone interact. energy: 0.331 local terms energy: -263.101258 where: bonds (distance) C4'-P energy: -46.962 bonds (distance) P-C4' energy: -59.840 flat angles C4'-P-C4' energy: -59.313 flat angles P-C4'-P energy: -42.865 tors. eta vs tors. theta energy: -54.122 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: 7 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -656.175943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.175943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.175943 (E_RNA) where: Base-Base interactions energy: -427.314 where: short stacking energy: -184.775 Base-Backbone interact. energy: 5.366 local terms energy: -234.227469 where: bonds (distance) C4'-P energy: -60.228 bonds (distance) P-C4' energy: -62.694 flat angles C4'-P-C4' energy: -43.533 flat angles P-C4'-P energy: -30.305 tors. eta vs tors. theta energy: -37.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -515.190053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.190053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.190053 (E_RNA) where: Base-Base interactions energy: -305.212 where: short stacking energy: -134.574 Base-Backbone interact. energy: -0.258 local terms energy: -209.720400 where: bonds (distance) C4'-P energy: -54.936 bonds (distance) P-C4' energy: -49.166 flat angles C4'-P-C4' energy: -59.527 flat angles P-C4'-P energy: -23.997 tors. eta vs tors. theta energy: -22.095 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: 10, replica: 5 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -370.625617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.625617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.625617 (E_RNA) where: Base-Base interactions energy: -184.188 where: short stacking energy: -113.304 Base-Backbone interact. energy: 2.106 local terms energy: -188.543617 where: bonds (distance) C4'-P energy: -52.697 bonds (distance) P-C4' energy: -61.597 flat angles C4'-P-C4' energy: -44.484 flat angles P-C4'-P energy: -22.609 tors. eta vs tors. theta energy: -7.158 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: 2 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -1185.592870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.592870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.592870 (E_RNA) where: Base-Base interactions energy: -824.043 where: short stacking energy: -360.828 Base-Backbone interact. energy: 1.317 local terms energy: -362.866612 where: bonds (distance) C4'-P energy: -65.790 bonds (distance) P-C4' energy: -59.210 flat angles C4'-P-C4' energy: -73.575 flat angles P-C4'-P energy: -51.219 tors. eta vs tors. theta energy: -113.072 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: 2, replica: 8 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -1103.807166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.807166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.807166 (E_RNA) where: Base-Base interactions energy: -759.041 where: short stacking energy: -314.351 Base-Backbone interact. energy: -1.073 local terms energy: -343.693502 where: bonds (distance) C4'-P energy: -61.207 bonds (distance) P-C4' energy: -64.648 flat angles C4'-P-C4' energy: -69.789 flat angles P-C4'-P energy: -50.119 tors. eta vs tors. theta energy: -97.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -1045.929793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.929793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.929793 (E_RNA) where: Base-Base interactions energy: -722.319 where: short stacking energy: -308.743 Base-Backbone interact. energy: -1.300 local terms energy: -322.310726 where: bonds (distance) C4'-P energy: -56.503 bonds (distance) P-C4' energy: -61.477 flat angles C4'-P-C4' energy: -68.439 flat angles P-C4'-P energy: -45.647 tors. eta vs tors. theta energy: -90.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -946.572931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.572931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.572931 (E_RNA) where: Base-Base interactions energy: -644.637 where: short stacking energy: -289.117 Base-Backbone interact. energy: -0.396 local terms energy: -301.540505 where: bonds (distance) C4'-P energy: -53.695 bonds (distance) P-C4' energy: -60.258 flat angles C4'-P-C4' energy: -65.402 flat angles P-C4'-P energy: -41.297 tors. eta vs tors. theta energy: -80.889 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: 5, replica: 3 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -935.313036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.313036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.313036 (E_RNA) where: Base-Base interactions energy: -622.117 where: short stacking energy: -278.960 Base-Backbone interact. energy: -1.107 local terms energy: -312.088811 where: bonds (distance) C4'-P energy: -61.671 bonds (distance) P-C4' energy: -52.748 flat angles C4'-P-C4' energy: -69.363 flat angles P-C4'-P energy: -42.594 tors. eta vs tors. theta energy: -85.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -926.191644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.191644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.191644 (E_RNA) where: Base-Base interactions energy: -634.732 where: short stacking energy: -269.781 Base-Backbone interact. energy: -1.116 local terms energy: -290.343076 where: bonds (distance) C4'-P energy: -52.769 bonds (distance) P-C4' energy: -52.423 flat angles C4'-P-C4' energy: -64.874 flat angles P-C4'-P energy: -44.082 tors. eta vs tors. theta energy: -76.195 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: 449 Temperature: 1.200000 Total energy: -735.408284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.408284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.408284 (E_RNA) where: Base-Base interactions energy: -461.993 where: short stacking energy: -217.203 Base-Backbone interact. energy: 3.589 local terms energy: -277.003748 where: bonds (distance) C4'-P energy: -52.506 bonds (distance) P-C4' energy: -61.693 flat angles C4'-P-C4' energy: -66.092 flat angles P-C4'-P energy: -39.928 tors. eta vs tors. theta energy: -56.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -652.411472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.411472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.411472 (E_RNA) where: Base-Base interactions energy: -417.404 where: short stacking energy: -181.182 Base-Backbone interact. energy: -0.308 local terms energy: -234.699733 where: bonds (distance) C4'-P energy: -50.135 bonds (distance) P-C4' energy: -52.055 flat angles C4'-P-C4' energy: -59.449 flat angles P-C4'-P energy: -37.569 tors. eta vs tors. theta energy: -35.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -541.265715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.265715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.265715 (E_RNA) where: Base-Base interactions energy: -333.131 where: short stacking energy: -150.966 Base-Backbone interact. energy: 2.356 local terms energy: -210.490870 where: bonds (distance) C4'-P energy: -45.329 bonds (distance) P-C4' energy: -65.430 flat angles C4'-P-C4' energy: -41.190 flat angles P-C4'-P energy: -27.679 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: 5 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -398.033608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.033608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.033608 (E_RNA) where: Base-Base interactions energy: -221.829 where: short stacking energy: -123.468 Base-Backbone interact. energy: 2.268 local terms energy: -178.472621 where: bonds (distance) C4'-P energy: -39.449 bonds (distance) P-C4' energy: -65.116 flat angles C4'-P-C4' energy: -42.076 flat angles P-C4'-P energy: -18.919 tors. eta vs tors. theta energy: -12.914 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: 2 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -1189.209792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.209792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.209792 (E_RNA) where: Base-Base interactions energy: -826.935 where: short stacking energy: -376.121 Base-Backbone interact. energy: -2.054 local terms energy: -360.220846 where: bonds (distance) C4'-P energy: -62.182 bonds (distance) P-C4' energy: -64.225 flat angles C4'-P-C4' energy: -72.894 flat angles P-C4'-P energy: -46.649 tors. eta vs tors. theta energy: -114.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -1117.286794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.286794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.286794 (E_RNA) where: Base-Base interactions energy: -768.762 where: short stacking energy: -318.431 Base-Backbone interact. energy: -1.325 local terms energy: -347.200257 where: bonds (distance) C4'-P energy: -61.043 bonds (distance) P-C4' energy: -60.539 flat angles C4'-P-C4' energy: -70.609 flat angles P-C4'-P energy: -52.280 tors. eta vs tors. theta energy: -102.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -1025.793465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.793465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.793465 (E_RNA) where: Base-Base interactions energy: -703.858 where: short stacking energy: -306.821 Base-Backbone interact. energy: -2.152 local terms energy: -319.783230 where: bonds (distance) C4'-P energy: -60.940 bonds (distance) P-C4' energy: -56.760 flat angles C4'-P-C4' energy: -63.759 flat angles P-C4'-P energy: -38.792 tors. eta vs tors. theta energy: -99.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -941.561884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.561884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.561884 (E_RNA) where: Base-Base interactions energy: -609.510 where: short stacking energy: -279.110 Base-Backbone interact. energy: -1.851 local terms energy: -330.200472 where: bonds (distance) C4'-P energy: -59.234 bonds (distance) P-C4' energy: -66.995 flat angles C4'-P-C4' energy: -69.913 flat angles P-C4'-P energy: -50.069 tors. eta vs tors. theta energy: -83.990 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: 10 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -939.725656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.725656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.725656 (E_RNA) where: Base-Base interactions energy: -627.329 where: short stacking energy: -265.934 Base-Backbone interact. energy: -1.093 local terms energy: -311.303877 where: bonds (distance) C4'-P energy: -49.246 bonds (distance) P-C4' energy: -63.110 flat angles C4'-P-C4' energy: -72.839 flat angles P-C4'-P energy: -45.447 tors. eta vs tors. theta energy: -80.661 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: 3 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -942.355386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.355386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.355386 (E_RNA) where: Base-Base interactions energy: -644.053 where: short stacking energy: -294.011 Base-Backbone interact. energy: -1.417 local terms energy: -296.885642 where: bonds (distance) C4'-P energy: -35.032 bonds (distance) P-C4' energy: -57.661 flat angles C4'-P-C4' energy: -68.419 flat angles P-C4'-P energy: -45.403 tors. eta vs tors. theta energy: -90.371 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: 9 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -738.242965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.242965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.242965 (E_RNA) where: Base-Base interactions energy: -474.927 where: short stacking energy: -209.076 Base-Backbone interact. energy: -2.379 local terms energy: -260.937384 where: bonds (distance) C4'-P energy: -52.609 bonds (distance) P-C4' energy: -54.702 flat angles C4'-P-C4' energy: -68.637 flat angles P-C4'-P energy: -40.265 tors. eta vs tors. theta energy: -44.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -668.073067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.073067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.073067 (E_RNA) where: Base-Base interactions energy: -415.542 where: short stacking energy: -194.593 Base-Backbone interact. energy: -1.805 local terms energy: -250.725731 where: bonds (distance) C4'-P energy: -52.032 bonds (distance) P-C4' energy: -49.302 flat angles C4'-P-C4' energy: -65.681 flat angles P-C4'-P energy: -40.194 tors. eta vs tors. theta energy: -43.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -517.447330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.447330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.447330 (E_RNA) where: Base-Base interactions energy: -306.120 where: short stacking energy: -153.567 Base-Backbone interact. energy: 4.138 local terms energy: -215.465550 where: bonds (distance) C4'-P energy: -52.384 bonds (distance) P-C4' energy: -62.596 flat angles C4'-P-C4' energy: -52.969 flat angles P-C4'-P energy: -33.732 tors. eta vs tors. theta energy: -13.784 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: 5 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -389.177535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.177535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.177535 (E_RNA) where: Base-Base interactions energy: -210.529 where: short stacking energy: -127.920 Base-Backbone interact. energy: -0.106 local terms energy: -178.542584 where: bonds (distance) C4'-P energy: -49.838 bonds (distance) P-C4' energy: -49.292 flat angles C4'-P-C4' energy: -39.076 flat angles P-C4'-P energy: -26.118 tors. eta vs tors. theta energy: -14.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -1183.983682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.983682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.983682 (E_RNA) where: Base-Base interactions energy: -817.345 where: short stacking energy: -357.128 Base-Backbone interact. energy: -1.150 local terms energy: -365.488273 where: bonds (distance) C4'-P energy: -66.228 bonds (distance) P-C4' energy: -64.145 flat angles C4'-P-C4' energy: -76.202 flat angles P-C4'-P energy: -50.904 tors. eta vs tors. theta energy: -108.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -1094.339189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.339189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.339189 (E_RNA) where: Base-Base interactions energy: -751.484 where: short stacking energy: -302.777 Base-Backbone interact. energy: -0.827 local terms energy: -342.027694 where: bonds (distance) C4'-P energy: -67.726 bonds (distance) P-C4' energy: -72.139 flat angles C4'-P-C4' energy: -65.725 flat angles P-C4'-P energy: -46.938 tors. eta vs tors. theta energy: -89.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -1043.432839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.432839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.432839 (E_RNA) where: Base-Base interactions energy: -703.990 where: short stacking energy: -296.647 Base-Backbone interact. energy: -1.558 local terms energy: -337.884940 where: bonds (distance) C4'-P energy: -66.000 bonds (distance) P-C4' energy: -63.698 flat angles C4'-P-C4' energy: -68.634 flat angles P-C4'-P energy: -47.445 tors. eta vs tors. theta energy: -92.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -936.470881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.470881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.470881 (E_RNA) where: Base-Base interactions energy: -641.680 where: short stacking energy: -267.563 Base-Backbone interact. energy: -0.436 local terms energy: -294.354308 where: bonds (distance) C4'-P energy: -53.694 bonds (distance) P-C4' energy: -53.783 flat angles C4'-P-C4' energy: -73.605 flat angles P-C4'-P energy: -37.069 tors. eta vs tors. theta energy: -76.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -906.421993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.421993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.421993 (E_RNA) where: Base-Base interactions energy: -629.530 where: short stacking energy: -278.811 Base-Backbone interact. energy: -1.967 local terms energy: -274.925506 where: bonds (distance) C4'-P energy: -39.232 bonds (distance) P-C4' energy: -57.537 flat angles C4'-P-C4' energy: -61.735 flat angles P-C4'-P energy: -34.447 tors. eta vs tors. theta energy: -81.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -921.895646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.895646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.895646 (E_RNA) where: Base-Base interactions energy: -647.221 where: short stacking energy: -268.931 Base-Backbone interact. energy: -0.742 local terms energy: -273.933346 where: bonds (distance) C4'-P energy: -51.798 bonds (distance) P-C4' energy: -51.896 flat angles C4'-P-C4' energy: -61.497 flat angles P-C4'-P energy: -35.741 tors. eta vs tors. theta energy: -73.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -754.372836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.372836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.372836 (E_RNA) where: Base-Base interactions energy: -500.167 where: short stacking energy: -218.686 Base-Backbone interact. energy: -0.385 local terms energy: -253.820794 where: bonds (distance) C4'-P energy: -53.908 bonds (distance) P-C4' energy: -51.657 flat angles C4'-P-C4' energy: -52.512 flat angles P-C4'-P energy: -33.709 tors. eta vs tors. theta energy: -62.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -626.552482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.552482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.552482 (E_RNA) where: Base-Base interactions energy: -386.569 where: short stacking energy: -195.190 Base-Backbone interact. energy: -1.093 local terms energy: -238.890325 where: bonds (distance) C4'-P energy: -54.679 bonds (distance) P-C4' energy: -57.590 flat angles C4'-P-C4' energy: -52.011 flat angles P-C4'-P energy: -31.773 tors. eta vs tors. theta energy: -42.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -521.931720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.931720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.931720 (E_RNA) where: Base-Base interactions energy: -309.402 where: short stacking energy: -162.382 Base-Backbone interact. energy: 2.508 local terms energy: -215.037478 where: bonds (distance) C4'-P energy: -56.540 bonds (distance) P-C4' energy: -54.361 flat angles C4'-P-C4' energy: -48.115 flat angles P-C4'-P energy: -27.688 tors. eta vs tors. theta energy: -28.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -372.721597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.721597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.721597 (E_RNA) where: Base-Base interactions energy: -203.099 where: short stacking energy: -121.522 Base-Backbone interact. energy: -0.103 local terms energy: -169.519566 where: bonds (distance) C4'-P energy: -46.049 bonds (distance) P-C4' energy: -38.196 flat angles C4'-P-C4' energy: -40.779 flat angles P-C4'-P energy: -41.315 tors. eta vs tors. theta energy: -3.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -1174.874831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.874831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.874831 (E_RNA) where: Base-Base interactions energy: -812.236 where: short stacking energy: -360.379 Base-Backbone interact. energy: -0.038 local terms energy: -362.600759 where: bonds (distance) C4'-P energy: -57.390 bonds (distance) P-C4' energy: -68.870 flat angles C4'-P-C4' energy: -67.913 flat angles P-C4'-P energy: -56.967 tors. eta vs tors. theta energy: -111.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -1101.029740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.029740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.029740 (E_RNA) where: Base-Base interactions energy: -759.683 where: short stacking energy: -321.551 Base-Backbone interact. energy: -0.503 local terms energy: -340.844372 where: bonds (distance) C4'-P energy: -53.321 bonds (distance) P-C4' energy: -68.341 flat angles C4'-P-C4' energy: -70.381 flat angles P-C4'-P energy: -51.520 tors. eta vs tors. theta energy: -97.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -1028.859805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.859805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.859805 (E_RNA) where: Base-Base interactions energy: -702.868 where: short stacking energy: -295.341 Base-Backbone interact. energy: 1.902 local terms energy: -327.893759 where: bonds (distance) C4'-P energy: -62.149 bonds (distance) P-C4' energy: -63.775 flat angles C4'-P-C4' energy: -62.908 flat angles P-C4'-P energy: -47.253 tors. eta vs tors. theta energy: -91.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -955.021017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.021017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.021017 (E_RNA) where: Base-Base interactions energy: -646.842 where: short stacking energy: -278.215 Base-Backbone interact. energy: -1.245 local terms energy: -306.934073 where: bonds (distance) C4'-P energy: -57.356 bonds (distance) P-C4' energy: -57.919 flat angles C4'-P-C4' energy: -62.031 flat angles P-C4'-P energy: -46.398 tors. eta vs tors. theta energy: -83.230 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: 5, replica: 3 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -946.622995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.622995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.622995 (E_RNA) where: Base-Base interactions energy: -644.977 where: short stacking energy: -277.873 Base-Backbone interact. energy: 1.532 local terms energy: -303.177881 where: bonds (distance) C4'-P energy: -62.948 bonds (distance) P-C4' energy: -57.214 flat angles C4'-P-C4' energy: -64.372 flat angles P-C4'-P energy: -36.264 tors. eta vs tors. theta energy: -82.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -875.241666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.241666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.241666 (E_RNA) where: Base-Base interactions energy: -589.733 where: short stacking energy: -244.200 Base-Backbone interact. energy: 0.089 local terms energy: -285.597358 where: bonds (distance) C4'-P energy: -54.433 bonds (distance) P-C4' energy: -55.809 flat angles C4'-P-C4' energy: -68.871 flat angles P-C4'-P energy: -33.647 tors. eta vs tors. theta energy: -72.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -769.478163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.478163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.478163 (E_RNA) where: Base-Base interactions energy: -503.909 where: short stacking energy: -225.638 Base-Backbone interact. energy: -1.398 local terms energy: -264.170917 where: bonds (distance) C4'-P energy: -61.231 bonds (distance) P-C4' energy: -56.027 flat angles C4'-P-C4' energy: -52.276 flat angles P-C4'-P energy: -36.532 tors. eta vs tors. theta energy: -58.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -670.583678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.583678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.583678 (E_RNA) where: Base-Base interactions energy: -416.420 where: short stacking energy: -198.026 Base-Backbone interact. energy: 0.100 local terms energy: -254.263381 where: bonds (distance) C4'-P energy: -65.489 bonds (distance) P-C4' energy: -54.316 flat angles C4'-P-C4' energy: -56.821 flat angles P-C4'-P energy: -33.030 tors. eta vs tors. theta energy: -44.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -529.115047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.115047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.115047 (E_RNA) where: Base-Base interactions energy: -319.415 where: short stacking energy: -161.122 Base-Backbone interact. energy: 5.085 local terms energy: -214.784635 where: bonds (distance) C4'-P energy: -58.412 bonds (distance) P-C4' energy: -48.657 flat angles C4'-P-C4' energy: -49.891 flat angles P-C4'-P energy: -32.471 tors. eta vs tors. theta energy: -25.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -375.921636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.921636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.921636 (E_RNA) where: Base-Base interactions energy: -193.665 where: short stacking energy: -111.453 Base-Backbone interact. energy: -0.821 local terms energy: -181.436030 where: bonds (distance) C4'-P energy: -43.163 bonds (distance) P-C4' energy: -52.247 flat angles C4'-P-C4' energy: -54.818 flat angles P-C4'-P energy: -28.405 tors. eta vs tors. theta energy: -2.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -1181.735461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.735461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.735461 (E_RNA) where: Base-Base interactions energy: -821.640 where: short stacking energy: -348.231 Base-Backbone interact. energy: -1.216 local terms energy: -358.879771 where: bonds (distance) C4'-P energy: -63.680 bonds (distance) P-C4' energy: -71.584 flat angles C4'-P-C4' energy: -75.128 flat angles P-C4'-P energy: -41.013 tors. eta vs tors. theta energy: -107.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -1110.282722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.282722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.282722 (E_RNA) where: Base-Base interactions energy: -763.715 where: short stacking energy: -309.841 Base-Backbone interact. energy: 0.141 local terms energy: -346.708592 where: bonds (distance) C4'-P energy: -60.749 bonds (distance) P-C4' energy: -69.173 flat angles C4'-P-C4' energy: -74.305 flat angles P-C4'-P energy: -47.052 tors. eta vs tors. theta energy: -95.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -1010.160565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.160565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.160565 (E_RNA) where: Base-Base interactions energy: -684.231 where: short stacking energy: -308.503 Base-Backbone interact. energy: -1.041 local terms energy: -324.888687 where: bonds (distance) C4'-P energy: -60.238 bonds (distance) P-C4' energy: -56.840 flat angles C4'-P-C4' energy: -69.967 flat angles P-C4'-P energy: -45.125 tors. eta vs tors. theta energy: -92.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -943.526714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.526714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.526714 (E_RNA) where: Base-Base interactions energy: -628.259 where: short stacking energy: -274.081 Base-Backbone interact. energy: -1.531 local terms energy: -313.736970 where: bonds (distance) C4'-P energy: -60.649 bonds (distance) P-C4' energy: -73.048 flat angles C4'-P-C4' energy: -58.568 flat angles P-C4'-P energy: -40.639 tors. eta vs tors. theta energy: -80.832 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: 3 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -965.825344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.825344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.825344 (E_RNA) where: Base-Base interactions energy: -656.883 where: short stacking energy: -287.953 Base-Backbone interact. energy: 0.215 local terms energy: -309.156964 where: bonds (distance) C4'-P energy: -56.926 bonds (distance) P-C4' energy: -60.099 flat angles C4'-P-C4' energy: -69.575 flat angles P-C4'-P energy: -38.863 tors. eta vs tors. theta energy: -83.694 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: 4 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -942.781157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.781157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.781157 (E_RNA) where: Base-Base interactions energy: -636.693 where: short stacking energy: -285.932 Base-Backbone interact. energy: 2.123 local terms energy: -308.210902 where: bonds (distance) C4'-P energy: -54.445 bonds (distance) P-C4' energy: -52.136 flat angles C4'-P-C4' energy: -63.631 flat angles P-C4'-P energy: -45.964 tors. eta vs tors. theta energy: -92.034 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: 9 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -755.411580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.411580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.411580 (E_RNA) where: Base-Base interactions energy: -477.924 where: short stacking energy: -203.736 Base-Backbone interact. energy: -3.310 local terms energy: -274.177707 where: bonds (distance) C4'-P energy: -53.676 bonds (distance) P-C4' energy: -64.025 flat angles C4'-P-C4' energy: -60.811 flat angles P-C4'-P energy: -40.285 tors. eta vs tors. theta energy: -55.381 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: 7 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -631.709241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.709241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.709241 (E_RNA) where: Base-Base interactions energy: -414.804 where: short stacking energy: -181.715 Base-Backbone interact. energy: -0.376 local terms energy: -216.529820 where: bonds (distance) C4'-P energy: -48.967 bonds (distance) P-C4' energy: -53.863 flat angles C4'-P-C4' energy: -39.000 flat angles P-C4'-P energy: -32.973 tors. eta vs tors. theta energy: -41.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -513.819167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.819167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.819167 (E_RNA) where: Base-Base interactions energy: -320.591 where: short stacking energy: -140.728 Base-Backbone interact. energy: -0.248 local terms energy: -192.979640 where: bonds (distance) C4'-P energy: -52.184 bonds (distance) P-C4' energy: -46.695 flat angles C4'-P-C4' energy: -54.649 flat angles P-C4'-P energy: -14.800 tors. eta vs tors. theta energy: -24.652 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: 453 Temperature: 1.350000 Total energy: -399.532066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.532066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.532066 (E_RNA) where: Base-Base interactions energy: -191.648 where: short stacking energy: -112.395 Base-Backbone interact. energy: 0.826 local terms energy: -208.710706 where: bonds (distance) C4'-P energy: -55.239 bonds (distance) P-C4' energy: -47.084 flat angles C4'-P-C4' energy: -65.126 flat angles P-C4'-P energy: -31.330 tors. eta vs tors. theta energy: -9.932 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: 2 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -1172.031868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.031868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.031868 (E_RNA) where: Base-Base interactions energy: -808.695 where: short stacking energy: -356.096 Base-Backbone interact. energy: -1.003 local terms energy: -362.334507 where: bonds (distance) C4'-P energy: -58.107 bonds (distance) P-C4' energy: -68.183 flat angles C4'-P-C4' energy: -75.692 flat angles P-C4'-P energy: -49.793 tors. eta vs tors. theta energy: -110.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -1111.624002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.624002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.624002 (E_RNA) where: Base-Base interactions energy: -765.733 where: short stacking energy: -327.669 Base-Backbone interact. energy: -2.984 local terms energy: -342.907465 where: bonds (distance) C4'-P energy: -60.696 bonds (distance) P-C4' energy: -68.290 flat angles C4'-P-C4' energy: -68.773 flat angles P-C4'-P energy: -51.665 tors. eta vs tors. theta energy: -93.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -1020.769202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.769202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.769202 (E_RNA) where: Base-Base interactions energy: -684.433 where: short stacking energy: -297.182 Base-Backbone interact. energy: -1.258 local terms energy: -335.078236 where: bonds (distance) C4'-P energy: -54.571 bonds (distance) P-C4' energy: -61.104 flat angles C4'-P-C4' energy: -71.791 flat angles P-C4'-P energy: -52.380 tors. eta vs tors. theta energy: -95.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -976.133809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.133809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.133809 (E_RNA) where: Base-Base interactions energy: -653.897 where: short stacking energy: -297.483 Base-Backbone interact. energy: -1.020 local terms energy: -321.216520 where: bonds (distance) C4'-P energy: -53.167 bonds (distance) P-C4' energy: -65.876 flat angles C4'-P-C4' energy: -68.625 flat angles P-C4'-P energy: -44.291 tors. eta vs tors. theta energy: -89.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -962.246476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.246476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.246476 (E_RNA) where: Base-Base interactions energy: -648.679 where: short stacking energy: -295.500 Base-Backbone interact. energy: 0.202 local terms energy: -313.769344 where: bonds (distance) C4'-P energy: -53.901 bonds (distance) P-C4' energy: -66.232 flat angles C4'-P-C4' energy: -68.189 flat angles P-C4'-P energy: -45.959 tors. eta vs tors. theta energy: -79.488 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: 3 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -941.781711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.781711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.781711 (E_RNA) where: Base-Base interactions energy: -660.603 where: short stacking energy: -287.196 Base-Backbone interact. energy: 0.841 local terms energy: -282.019390 where: bonds (distance) C4'-P energy: -52.101 bonds (distance) P-C4' energy: -46.430 flat angles C4'-P-C4' energy: -70.781 flat angles P-C4'-P energy: -40.359 tors. eta vs tors. theta energy: -72.348 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: 7, replica: 9 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -760.802845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.802845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.802845 (E_RNA) where: Base-Base interactions energy: -499.717 where: short stacking energy: -210.332 Base-Backbone interact. energy: -0.327 local terms energy: -260.758982 where: bonds (distance) C4'-P energy: -65.166 bonds (distance) P-C4' energy: -52.647 flat angles C4'-P-C4' energy: -57.621 flat angles P-C4'-P energy: -29.446 tors. eta vs tors. theta energy: -55.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -645.546126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.546126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.546126 (E_RNA) where: Base-Base interactions energy: -408.139 where: short stacking energy: -189.698 Base-Backbone interact. energy: -0.917 local terms energy: -236.490646 where: bonds (distance) C4'-P energy: -56.114 bonds (distance) P-C4' energy: -53.314 flat angles C4'-P-C4' energy: -52.706 flat angles P-C4'-P energy: -42.482 tors. eta vs tors. theta energy: -31.875 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: 6 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -548.260452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.260452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.260452 (E_RNA) where: Base-Base interactions energy: -322.261 where: short stacking energy: -163.927 Base-Backbone interact. energy: -0.234 local terms energy: -225.766108 where: bonds (distance) C4'-P energy: -40.779 bonds (distance) P-C4' energy: -61.559 flat angles C4'-P-C4' energy: -44.181 flat angles P-C4'-P energy: -39.549 tors. eta vs tors. theta energy: -39.697 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: 5 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -387.189211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.189211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.189211 (E_RNA) where: Base-Base interactions energy: -201.012 where: short stacking energy: -101.932 Base-Backbone interact. energy: 0.006 local terms energy: -186.182516 where: bonds (distance) C4'-P energy: -53.957 bonds (distance) P-C4' energy: -50.268 flat angles C4'-P-C4' energy: -51.652 flat angles P-C4'-P energy: -27.618 tors. eta vs tors. theta energy: -2.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -1191.288345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.288345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.288345 (E_RNA) where: Base-Base interactions energy: -832.476 where: short stacking energy: -363.432 Base-Backbone interact. energy: -1.019 local terms energy: -357.792795 where: bonds (distance) C4'-P energy: -64.448 bonds (distance) P-C4' energy: -62.933 flat angles C4'-P-C4' energy: -70.686 flat angles P-C4'-P energy: -52.882 tors. eta vs tors. theta energy: -106.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -1111.950676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.950676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.950676 (E_RNA) where: Base-Base interactions energy: -772.708 where: short stacking energy: -318.041 Base-Backbone interact. energy: -1.445 local terms energy: -337.797434 where: bonds (distance) C4'-P energy: -75.247 bonds (distance) P-C4' energy: -55.732 flat angles C4'-P-C4' energy: -69.452 flat angles P-C4'-P energy: -46.354 tors. eta vs tors. theta energy: -91.012 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: 1 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -1046.044450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.044450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.044450 (E_RNA) where: Base-Base interactions energy: -712.485 where: short stacking energy: -319.639 Base-Backbone interact. energy: -0.386 local terms energy: -333.173466 where: bonds (distance) C4'-P energy: -51.342 bonds (distance) P-C4' energy: -59.355 flat angles C4'-P-C4' energy: -74.816 flat angles P-C4'-P energy: -49.896 tors. eta vs tors. theta energy: -97.763 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: 4, replica: 10 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -982.740937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.740937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.740937 (E_RNA) where: Base-Base interactions energy: -659.604 where: short stacking energy: -274.864 Base-Backbone interact. energy: -1.678 local terms energy: -321.458813 where: bonds (distance) C4'-P energy: -62.445 bonds (distance) P-C4' energy: -62.548 flat angles C4'-P-C4' energy: -68.952 flat angles P-C4'-P energy: -45.275 tors. eta vs tors. theta energy: -82.239 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: 455 Temperature: 1.100000 Total energy: -948.507299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.507299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.507299 (E_RNA) where: Base-Base interactions energy: -635.522 where: short stacking energy: -293.131 Base-Backbone interact. energy: -1.850 local terms energy: -311.135087 where: bonds (distance) C4'-P energy: -63.800 bonds (distance) P-C4' energy: -53.083 flat angles C4'-P-C4' energy: -65.438 flat angles P-C4'-P energy: -42.555 tors. eta vs tors. theta energy: -86.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -944.536472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.536472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.536472 (E_RNA) where: Base-Base interactions energy: -640.710 where: short stacking energy: -282.820 Base-Backbone interact. energy: 1.031 local terms energy: -304.857197 where: bonds (distance) C4'-P energy: -51.919 bonds (distance) P-C4' energy: -50.057 flat angles C4'-P-C4' energy: -71.401 flat angles P-C4'-P energy: -49.797 tors. eta vs tors. theta energy: -81.683 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: 455 Temperature: 1.200000 Total energy: -792.869638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.869638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.869638 (E_RNA) where: Base-Base interactions energy: -498.123 where: short stacking energy: -225.486 Base-Backbone interact. energy: -0.748 local terms energy: -293.998877 where: bonds (distance) C4'-P energy: -60.993 bonds (distance) P-C4' energy: -54.944 flat angles C4'-P-C4' energy: -75.726 flat angles P-C4'-P energy: -32.347 tors. eta vs tors. theta energy: -69.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -649.068703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.068703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.068703 (E_RNA) where: Base-Base interactions energy: -423.048 where: short stacking energy: -194.512 Base-Backbone interact. energy: -1.493 local terms energy: -224.527593 where: bonds (distance) C4'-P energy: -48.058 bonds (distance) P-C4' energy: -49.966 flat angles C4'-P-C4' energy: -62.927 flat angles P-C4'-P energy: -26.826 tors. eta vs tors. theta energy: -36.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -501.436352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.436352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.436352 (E_RNA) where: Base-Base interactions energy: -317.688 where: short stacking energy: -134.154 Base-Backbone interact. energy: 3.688 local terms energy: -187.436654 where: bonds (distance) C4'-P energy: -38.011 bonds (distance) P-C4' energy: -64.008 flat angles C4'-P-C4' energy: -33.854 flat angles P-C4'-P energy: -37.779 tors. eta vs tors. theta energy: -13.784 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: 5 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -399.222465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.222465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.222465 (E_RNA) where: Base-Base interactions energy: -206.825 where: short stacking energy: -111.025 Base-Backbone interact. energy: 1.048 local terms energy: -193.445178 where: bonds (distance) C4'-P energy: -46.089 bonds (distance) P-C4' energy: -51.273 flat angles C4'-P-C4' energy: -53.391 flat angles P-C4'-P energy: -32.650 tors. eta vs tors. theta energy: -10.043 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: 2 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -1183.828593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.828593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.828593 (E_RNA) where: Base-Base interactions energy: -828.341 where: short stacking energy: -358.527 Base-Backbone interact. energy: -0.250 local terms energy: -355.237701 where: bonds (distance) C4'-P energy: -66.802 bonds (distance) P-C4' energy: -65.790 flat angles C4'-P-C4' energy: -72.559 flat angles P-C4'-P energy: -37.402 tors. eta vs tors. theta energy: -112.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -1112.718215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.718215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.718215 (E_RNA) where: Base-Base interactions energy: -782.172 where: short stacking energy: -324.859 Base-Backbone interact. energy: -1.528 local terms energy: -329.018058 where: bonds (distance) C4'-P energy: -61.218 bonds (distance) P-C4' energy: -68.695 flat angles C4'-P-C4' energy: -61.307 flat angles P-C4'-P energy: -44.934 tors. eta vs tors. theta energy: -92.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -1032.909128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.909128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.909128 (E_RNA) where: Base-Base interactions energy: -689.692 where: short stacking energy: -302.605 Base-Backbone interact. energy: -2.928 local terms energy: -340.289603 where: bonds (distance) C4'-P energy: -61.693 bonds (distance) P-C4' energy: -60.214 flat angles C4'-P-C4' energy: -73.942 flat angles P-C4'-P energy: -51.324 tors. eta vs tors. theta energy: -93.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -984.274495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.274495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.274495 (E_RNA) where: Base-Base interactions energy: -648.546 where: short stacking energy: -307.344 Base-Backbone interact. energy: -1.255 local terms energy: -334.473288 where: bonds (distance) C4'-P energy: -59.785 bonds (distance) P-C4' energy: -64.157 flat angles C4'-P-C4' energy: -72.772 flat angles P-C4'-P energy: -45.590 tors. eta vs tors. theta energy: -92.169 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: 5, replica: 3 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -952.529015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.529015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.529015 (E_RNA) where: Base-Base interactions energy: -632.938 where: short stacking energy: -285.992 Base-Backbone interact. energy: 0.282 local terms energy: -319.873090 where: bonds (distance) C4'-P energy: -60.436 bonds (distance) P-C4' energy: -56.227 flat angles C4'-P-C4' energy: -73.482 flat angles P-C4'-P energy: -43.710 tors. eta vs tors. theta energy: -86.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -906.787643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.787643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.787643 (E_RNA) where: Base-Base interactions energy: -618.464 where: short stacking energy: -260.878 Base-Backbone interact. energy: -0.643 local terms energy: -287.680481 where: bonds (distance) C4'-P energy: -61.124 bonds (distance) P-C4' energy: -50.863 flat angles C4'-P-C4' energy: -51.858 flat angles P-C4'-P energy: -41.319 tors. eta vs tors. theta energy: -82.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -783.507907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.507907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.507907 (E_RNA) where: Base-Base interactions energy: -514.353 where: short stacking energy: -220.426 Base-Backbone interact. energy: 1.575 local terms energy: -270.730148 where: bonds (distance) C4'-P energy: -55.146 bonds (distance) P-C4' energy: -53.585 flat angles C4'-P-C4' energy: -59.548 flat angles P-C4'-P energy: -41.440 tors. eta vs tors. theta energy: -61.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -657.615405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.615405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.615405 (E_RNA) where: Base-Base interactions energy: -415.729 where: short stacking energy: -192.538 Base-Backbone interact. energy: -1.448 local terms energy: -240.437726 where: bonds (distance) C4'-P energy: -46.122 bonds (distance) P-C4' energy: -57.492 flat angles C4'-P-C4' energy: -65.775 flat angles P-C4'-P energy: -33.166 tors. eta vs tors. theta energy: -37.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -535.095788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.095788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.095788 (E_RNA) where: Base-Base interactions energy: -326.339 where: short stacking energy: -169.083 Base-Backbone interact. energy: 2.202 local terms energy: -210.958518 where: bonds (distance) C4'-P energy: -40.855 bonds (distance) P-C4' energy: -49.813 flat angles C4'-P-C4' energy: -57.299 flat angles P-C4'-P energy: -37.097 tors. eta vs tors. theta energy: -25.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -385.917334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.917334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.917334 (E_RNA) where: Base-Base interactions energy: -201.136 where: short stacking energy: -129.561 Base-Backbone interact. energy: 1.173 local terms energy: -185.953629 where: bonds (distance) C4'-P energy: -40.003 bonds (distance) P-C4' energy: -54.191 flat angles C4'-P-C4' energy: -51.613 flat angles P-C4'-P energy: -26.579 tors. eta vs tors. theta energy: -13.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -1188.274156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.274156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.274156 (E_RNA) where: Base-Base interactions energy: -820.326 where: short stacking energy: -351.282 Base-Backbone interact. energy: -0.766 local terms energy: -367.182103 where: bonds (distance) C4'-P energy: -66.322 bonds (distance) P-C4' energy: -67.922 flat angles C4'-P-C4' energy: -71.392 flat angles P-C4'-P energy: -52.706 tors. eta vs tors. theta energy: -108.841 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: 2, replica: 1 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -1056.172744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.172744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.172744 (E_RNA) where: Base-Base interactions energy: -712.180 where: short stacking energy: -328.004 Base-Backbone interact. energy: -0.948 local terms energy: -343.045186 where: bonds (distance) C4'-P energy: -66.585 bonds (distance) P-C4' energy: -51.132 flat angles C4'-P-C4' energy: -69.175 flat angles P-C4'-P energy: -55.650 tors. eta vs tors. theta energy: -100.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -1081.058218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.058218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.058218 (E_RNA) where: Base-Base interactions energy: -735.423 where: short stacking energy: -307.438 Base-Backbone interact. energy: -1.866 local terms energy: -343.769005 where: bonds (distance) C4'-P energy: -58.956 bonds (distance) P-C4' energy: -61.892 flat angles C4'-P-C4' energy: -73.126 flat angles P-C4'-P energy: -49.268 tors. eta vs tors. theta energy: -100.527 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: 457 Temperature: 1.050000 Total energy: -962.753284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.753284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.753284 (E_RNA) where: Base-Base interactions energy: -637.861 where: short stacking energy: -281.521 Base-Backbone interact. energy: -0.730 local terms energy: -324.161776 where: bonds (distance) C4'-P energy: -60.196 bonds (distance) P-C4' energy: -59.222 flat angles C4'-P-C4' energy: -70.019 flat angles P-C4'-P energy: -51.930 tors. eta vs tors. theta energy: -82.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -941.318706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.318706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.318706 (E_RNA) where: Base-Base interactions energy: -637.786 where: short stacking energy: -291.517 Base-Backbone interact. energy: 2.427 local terms energy: -305.959121 where: bonds (distance) C4'-P energy: -47.615 bonds (distance) P-C4' energy: -57.002 flat angles C4'-P-C4' energy: -72.121 flat angles P-C4'-P energy: -43.771 tors. eta vs tors. theta energy: -85.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -905.533759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.533759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.533759 (E_RNA) where: Base-Base interactions energy: -606.983 where: short stacking energy: -264.197 Base-Backbone interact. energy: -1.680 local terms energy: -296.870247 where: bonds (distance) C4'-P energy: -54.360 bonds (distance) P-C4' energy: -57.227 flat angles C4'-P-C4' energy: -63.961 flat angles P-C4'-P energy: -41.505 tors. eta vs tors. theta energy: -79.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -768.824673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.824673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.824673 (E_RNA) where: Base-Base interactions energy: -513.824 where: short stacking energy: -232.409 Base-Backbone interact. energy: 4.441 local terms energy: -259.442402 where: bonds (distance) C4'-P energy: -54.032 bonds (distance) P-C4' energy: -53.184 flat angles C4'-P-C4' energy: -49.810 flat angles P-C4'-P energy: -40.074 tors. eta vs tors. theta energy: -62.342 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: 7 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -703.417558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.417558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.417558 (E_RNA) where: Base-Base interactions energy: -448.750 where: short stacking energy: -188.133 Base-Backbone interact. energy: -1.025 local terms energy: -253.642271 where: bonds (distance) C4'-P energy: -56.412 bonds (distance) P-C4' energy: -55.127 flat angles C4'-P-C4' energy: -54.708 flat angles P-C4'-P energy: -40.631 tors. eta vs tors. theta energy: -46.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -507.331575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.331575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.331575 (E_RNA) where: Base-Base interactions energy: -302.710 where: short stacking energy: -141.729 Base-Backbone interact. energy: -1.712 local terms energy: -202.910527 where: bonds (distance) C4'-P energy: -61.811 bonds (distance) P-C4' energy: -46.932 flat angles C4'-P-C4' energy: -42.599 flat angles P-C4'-P energy: -29.820 tors. eta vs tors. theta energy: -21.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -399.249510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.249510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.249510 (E_RNA) where: Base-Base interactions energy: -225.607 where: short stacking energy: -123.090 Base-Backbone interact. energy: 9.990 local terms energy: -183.632828 where: bonds (distance) C4'-P energy: -51.711 bonds (distance) P-C4' energy: -62.398 flat angles C4'-P-C4' energy: -37.549 flat angles P-C4'-P energy: -27.996 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: 1, replica: 2 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -1187.574102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.574102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.574102 (E_RNA) where: Base-Base interactions energy: -823.799 where: short stacking energy: -357.334 Base-Backbone interact. energy: -0.252 local terms energy: -363.523547 where: bonds (distance) C4'-P energy: -56.257 bonds (distance) P-C4' energy: -67.869 flat angles C4'-P-C4' energy: -70.735 flat angles P-C4'-P energy: -58.852 tors. eta vs tors. theta energy: -109.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -1056.055511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.055511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.055511 (E_RNA) where: Base-Base interactions energy: -726.413 where: short stacking energy: -320.217 Base-Backbone interact. energy: -1.980 local terms energy: -327.663341 where: bonds (distance) C4'-P energy: -47.364 bonds (distance) P-C4' energy: -61.311 flat angles C4'-P-C4' energy: -78.199 flat angles P-C4'-P energy: -48.120 tors. eta vs tors. theta energy: -92.670 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: 8 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -1064.315632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.315632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.315632 (E_RNA) where: Base-Base interactions energy: -743.129 where: short stacking energy: -317.119 Base-Backbone interact. energy: -1.996 local terms energy: -319.191128 where: bonds (distance) C4'-P energy: -51.758 bonds (distance) P-C4' energy: -66.004 flat angles C4'-P-C4' energy: -62.968 flat angles P-C4'-P energy: -48.861 tors. eta vs tors. theta energy: -89.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -1005.937450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.937450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.937450 (E_RNA) where: Base-Base interactions energy: -677.587 where: short stacking energy: -311.414 Base-Backbone interact. energy: 1.455 local terms energy: -329.805896 where: bonds (distance) C4'-P energy: -46.904 bonds (distance) P-C4' energy: -67.952 flat angles C4'-P-C4' energy: -77.799 flat angles P-C4'-P energy: -44.859 tors. eta vs tors. theta energy: -92.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -895.041976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.041976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.041976 (E_RNA) where: Base-Base interactions energy: -583.024 where: short stacking energy: -259.850 Base-Backbone interact. energy: -2.008 local terms energy: -310.010457 where: bonds (distance) C4'-P energy: -67.020 bonds (distance) P-C4' energy: -59.169 flat angles C4'-P-C4' energy: -67.363 flat angles P-C4'-P energy: -42.309 tors. eta vs tors. theta energy: -74.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -899.624248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.624248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.624248 (E_RNA) where: Base-Base interactions energy: -609.811 where: short stacking energy: -260.313 Base-Backbone interact. energy: 0.039 local terms energy: -289.851987 where: bonds (distance) C4'-P energy: -49.749 bonds (distance) P-C4' energy: -54.145 flat angles C4'-P-C4' energy: -67.395 flat angles P-C4'-P energy: -42.240 tors. eta vs tors. theta energy: -76.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -717.035991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.035991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.035991 (E_RNA) where: Base-Base interactions energy: -454.709 where: short stacking energy: -222.807 Base-Backbone interact. energy: -1.566 local terms energy: -260.761487 where: bonds (distance) C4'-P energy: -49.832 bonds (distance) P-C4' energy: -56.564 flat angles C4'-P-C4' energy: -69.053 flat angles P-C4'-P energy: -34.558 tors. eta vs tors. theta energy: -50.756 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: 9 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -632.320042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.320042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.320042 (E_RNA) where: Base-Base interactions energy: -408.206 where: short stacking energy: -178.911 Base-Backbone interact. energy: -2.246 local terms energy: -221.867954 where: bonds (distance) C4'-P energy: -35.646 bonds (distance) P-C4' energy: -60.911 flat angles C4'-P-C4' energy: -54.393 flat angles P-C4'-P energy: -32.437 tors. eta vs tors. theta energy: -38.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -550.367104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.367104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.367104 (E_RNA) where: Base-Base interactions energy: -334.131 where: short stacking energy: -153.460 Base-Backbone interact. energy: 0.330 local terms energy: -216.565774 where: bonds (distance) C4'-P energy: -47.408 bonds (distance) P-C4' energy: -49.290 flat angles C4'-P-C4' energy: -49.732 flat angles P-C4'-P energy: -40.060 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: 10, replica: 5 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -430.884237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.884237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.884237 (E_RNA) where: Base-Base interactions energy: -254.447 where: short stacking energy: -132.205 Base-Backbone interact. energy: 1.469 local terms energy: -177.905996 where: bonds (distance) C4'-P energy: -32.462 bonds (distance) P-C4' energy: -44.558 flat angles C4'-P-C4' energy: -47.797 flat angles P-C4'-P energy: -33.735 tors. eta vs tors. theta energy: -19.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -1166.855900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.855900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.855900 (E_RNA) where: Base-Base interactions energy: -811.341 where: short stacking energy: -345.613 Base-Backbone interact. energy: 1.092 local terms energy: -356.607013 where: bonds (distance) C4'-P energy: -62.248 bonds (distance) P-C4' energy: -67.963 flat angles C4'-P-C4' energy: -71.510 flat angles P-C4'-P energy: -44.509 tors. eta vs tors. theta energy: -110.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -1091.384630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.384630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.384630 (E_RNA) where: Base-Base interactions energy: -762.372 where: short stacking energy: -313.501 Base-Backbone interact. energy: -1.263 local terms energy: -327.749650 where: bonds (distance) C4'-P energy: -62.955 bonds (distance) P-C4' energy: -55.468 flat angles C4'-P-C4' energy: -71.847 flat angles P-C4'-P energy: -47.368 tors. eta vs tors. theta energy: -90.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -1052.297353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.297353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.297353 (E_RNA) where: Base-Base interactions energy: -714.559 where: short stacking energy: -314.839 Base-Backbone interact. energy: -1.058 local terms energy: -336.680059 where: bonds (distance) C4'-P energy: -69.550 bonds (distance) P-C4' energy: -55.047 flat angles C4'-P-C4' energy: -68.352 flat angles P-C4'-P energy: -48.790 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: 4, replica: 3 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -985.993523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.993523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.993523 (E_RNA) where: Base-Base interactions energy: -666.591 where: short stacking energy: -302.132 Base-Backbone interact. energy: -0.761 local terms energy: -318.641868 where: bonds (distance) C4'-P energy: -55.688 bonds (distance) P-C4' energy: -54.792 flat angles C4'-P-C4' energy: -73.409 flat angles P-C4'-P energy: -46.496 tors. eta vs tors. theta energy: -88.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -953.458061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.458061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.458061 (E_RNA) where: Base-Base interactions energy: -658.051 where: short stacking energy: -288.952 Base-Backbone interact. energy: -0.595 local terms energy: -294.811553 where: bonds (distance) C4'-P energy: -55.876 bonds (distance) P-C4' energy: -49.501 flat angles C4'-P-C4' energy: -58.551 flat angles P-C4'-P energy: -47.756 tors. eta vs tors. theta energy: -83.127 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: 10 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -890.882045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.882045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.882045 (E_RNA) where: Base-Base interactions energy: -602.088 where: short stacking energy: -265.607 Base-Backbone interact. energy: 0.846 local terms energy: -289.640237 where: bonds (distance) C4'-P energy: -56.009 bonds (distance) P-C4' energy: -50.984 flat angles C4'-P-C4' energy: -64.545 flat angles P-C4'-P energy: -41.854 tors. eta vs tors. theta energy: -76.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -730.433247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.433247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.433247 (E_RNA) where: Base-Base interactions energy: -474.565 where: short stacking energy: -214.058 Base-Backbone interact. energy: -0.783 local terms energy: -255.084903 where: bonds (distance) C4'-P energy: -45.307 bonds (distance) P-C4' energy: -49.410 flat angles C4'-P-C4' energy: -63.924 flat angles P-C4'-P energy: -43.810 tors. eta vs tors. theta energy: -52.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -661.140142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.140142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.140142 (E_RNA) where: Base-Base interactions energy: -411.111 where: short stacking energy: -188.584 Base-Backbone interact. energy: 0.614 local terms energy: -250.642836 where: bonds (distance) C4'-P energy: -53.567 bonds (distance) P-C4' energy: -66.943 flat angles C4'-P-C4' energy: -58.325 flat angles P-C4'-P energy: -34.245 tors. eta vs tors. theta energy: -37.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -520.877119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.877119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.877119 (E_RNA) where: Base-Base interactions energy: -301.593 where: short stacking energy: -151.751 Base-Backbone interact. energy: -1.173 local terms energy: -218.112070 where: bonds (distance) C4'-P energy: -42.658 bonds (distance) P-C4' energy: -50.808 flat angles C4'-P-C4' energy: -54.130 flat angles P-C4'-P energy: -43.262 tors. eta vs tors. theta energy: -27.254 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: 459 Temperature: 1.350000 Total energy: -475.719187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.719187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.719187 (E_RNA) where: Base-Base interactions energy: -283.304 where: short stacking energy: -137.494 Base-Backbone interact. energy: 1.091 local terms energy: -193.506138 where: bonds (distance) C4'-P energy: -38.130 bonds (distance) P-C4' energy: -63.250 flat angles C4'-P-C4' energy: -47.012 flat angles P-C4'-P energy: -27.410 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: 2 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -1178.188937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.188937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.188937 (E_RNA) where: Base-Base interactions energy: -807.851 where: short stacking energy: -355.292 Base-Backbone interact. energy: -0.235 local terms energy: -370.103304 where: bonds (distance) C4'-P energy: -61.842 bonds (distance) P-C4' energy: -67.956 flat angles C4'-P-C4' energy: -73.627 flat angles P-C4'-P energy: -53.305 tors. eta vs tors. theta energy: -113.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -1090.734516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.734516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.734516 (E_RNA) where: Base-Base interactions energy: -762.021 where: short stacking energy: -319.926 Base-Backbone interact. energy: -0.759 local terms energy: -327.954522 where: bonds (distance) C4'-P energy: -58.654 bonds (distance) P-C4' energy: -67.437 flat angles C4'-P-C4' energy: -67.627 flat angles P-C4'-P energy: -47.997 tors. eta vs tors. theta energy: -86.239 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: 3, replica: 1 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -1056.425521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.425521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.425521 (E_RNA) where: Base-Base interactions energy: -713.501 where: short stacking energy: -322.672 Base-Backbone interact. energy: -3.428 local terms energy: -339.497188 where: bonds (distance) C4'-P energy: -65.568 bonds (distance) P-C4' energy: -67.927 flat angles C4'-P-C4' energy: -64.631 flat angles P-C4'-P energy: -42.856 tors. eta vs tors. theta energy: -98.515 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: 460 Temperature: 1.050000 Total energy: -972.557193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.557193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.557193 (E_RNA) where: Base-Base interactions energy: -645.385 where: short stacking energy: -288.156 Base-Backbone interact. energy: -1.685 local terms energy: -325.487661 where: bonds (distance) C4'-P energy: -60.847 bonds (distance) P-C4' energy: -66.812 flat angles C4'-P-C4' energy: -63.958 flat angles P-C4'-P energy: -46.684 tors. eta vs tors. theta energy: -87.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -952.113269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.113269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.113269 (E_RNA) where: Base-Base interactions energy: -644.854 where: short stacking energy: -280.645 Base-Backbone interact. energy: -1.391 local terms energy: -305.867548 where: bonds (distance) C4'-P energy: -51.466 bonds (distance) P-C4' energy: -52.156 flat angles C4'-P-C4' energy: -69.027 flat angles P-C4'-P energy: -47.346 tors. eta vs tors. theta energy: -85.872 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: 460 Temperature: 1.150000 Total energy: -852.023462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.023462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.023462 (E_RNA) where: Base-Base interactions energy: -558.742 where: short stacking energy: -253.525 Base-Backbone interact. energy: -1.448 local terms energy: -291.833099 where: bonds (distance) C4'-P energy: -53.099 bonds (distance) P-C4' energy: -54.760 flat angles C4'-P-C4' energy: -69.062 flat angles P-C4'-P energy: -43.321 tors. eta vs tors. theta energy: -71.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -749.678424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.678424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.678424 (E_RNA) where: Base-Base interactions energy: -479.800 where: short stacking energy: -209.586 Base-Backbone interact. energy: -0.933 local terms energy: -268.945134 where: bonds (distance) C4'-P energy: -55.211 bonds (distance) P-C4' energy: -62.955 flat angles C4'-P-C4' energy: -58.909 flat angles P-C4'-P energy: -41.564 tors. eta vs tors. theta energy: -50.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -621.243159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.243159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.243159 (E_RNA) where: Base-Base interactions energy: -393.307 where: short stacking energy: -181.704 Base-Backbone interact. energy: 3.026 local terms energy: -230.962012 where: bonds (distance) C4'-P energy: -40.797 bonds (distance) P-C4' energy: -59.497 flat angles C4'-P-C4' energy: -53.676 flat angles P-C4'-P energy: -34.430 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: 9, replica: 6 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -540.924224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.924224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.924224 (E_RNA) where: Base-Base interactions energy: -336.822 where: short stacking energy: -160.986 Base-Backbone interact. energy: -0.120 local terms energy: -203.982456 where: bonds (distance) C4'-P energy: -42.757 bonds (distance) P-C4' energy: -49.513 flat angles C4'-P-C4' energy: -51.776 flat angles P-C4'-P energy: -31.980 tors. eta vs tors. theta energy: -27.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -405.502445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.502445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.502445 (E_RNA) where: Base-Base interactions energy: -223.235 where: short stacking energy: -109.684 Base-Backbone interact. energy: 2.348 local terms energy: -184.615857 where: bonds (distance) C4'-P energy: -60.222 bonds (distance) P-C4' energy: -50.382 flat angles C4'-P-C4' energy: -48.752 flat angles P-C4'-P energy: -34.686 tors. eta vs tors. theta energy: 9.426 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: 2 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -1206.262107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.262107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.262107 (E_RNA) where: Base-Base interactions energy: -840.600 where: short stacking energy: -364.706 Base-Backbone interact. energy: -0.674 local terms energy: -364.988188 where: bonds (distance) C4'-P energy: -56.264 bonds (distance) P-C4' energy: -65.699 flat angles C4'-P-C4' energy: -78.427 flat angles P-C4'-P energy: -53.111 tors. eta vs tors. theta energy: -111.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -1109.729364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.729364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.729364 (E_RNA) where: Base-Base interactions energy: -782.510 where: short stacking energy: -321.131 Base-Backbone interact. energy: -1.986 local terms energy: -325.233595 where: bonds (distance) C4'-P energy: -64.798 bonds (distance) P-C4' energy: -52.336 flat angles C4'-P-C4' energy: -67.129 flat angles P-C4'-P energy: -51.244 tors. eta vs tors. theta energy: -89.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -1044.472952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.472952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.472952 (E_RNA) where: Base-Base interactions energy: -712.244 where: short stacking energy: -305.467 Base-Backbone interact. energy: -2.811 local terms energy: -329.417608 where: bonds (distance) C4'-P energy: -56.850 bonds (distance) P-C4' energy: -59.281 flat angles C4'-P-C4' energy: -71.641 flat angles P-C4'-P energy: -43.603 tors. eta vs tors. theta energy: -98.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -994.016806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.016806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.016806 (E_RNA) where: Base-Base interactions energy: -672.921 where: short stacking energy: -304.608 Base-Backbone interact. energy: -0.930 local terms energy: -320.166327 where: bonds (distance) C4'-P energy: -56.734 bonds (distance) P-C4' energy: -61.638 flat angles C4'-P-C4' energy: -61.343 flat angles P-C4'-P energy: -53.746 tors. eta vs tors. theta energy: -86.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -981.999890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.999890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.999890 (E_RNA) where: Base-Base interactions energy: -656.581 where: short stacking energy: -290.188 Base-Backbone interact. energy: -1.488 local terms energy: -323.930684 where: bonds (distance) C4'-P energy: -48.923 bonds (distance) P-C4' energy: -64.761 flat angles C4'-P-C4' energy: -69.941 flat angles P-C4'-P energy: -49.097 tors. eta vs tors. theta energy: -91.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -827.973316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.973316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.973316 (E_RNA) where: Base-Base interactions energy: -554.407 where: short stacking energy: -246.207 Base-Backbone interact. energy: -1.982 local terms energy: -271.584676 where: bonds (distance) C4'-P energy: -58.020 bonds (distance) P-C4' energy: -55.306 flat angles C4'-P-C4' energy: -59.709 flat angles P-C4'-P energy: -32.402 tors. eta vs tors. theta energy: -66.148 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: 7 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -740.757429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.757429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.757429 (E_RNA) where: Base-Base interactions energy: -475.327 where: short stacking energy: -221.881 Base-Backbone interact. energy: -1.033 local terms energy: -264.397689 where: bonds (distance) C4'-P energy: -59.748 bonds (distance) P-C4' energy: -53.339 flat angles C4'-P-C4' energy: -59.384 flat angles P-C4'-P energy: -40.291 tors. eta vs tors. theta energy: -51.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -648.972410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.972410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.972410 (E_RNA) where: Base-Base interactions energy: -408.729 where: short stacking energy: -190.573 Base-Backbone interact. energy: 1.237 local terms energy: -241.480370 where: bonds (distance) C4'-P energy: -51.705 bonds (distance) P-C4' energy: -69.578 flat angles C4'-P-C4' energy: -57.658 flat angles P-C4'-P energy: -29.575 tors. eta vs tors. theta energy: -32.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -533.146808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.146808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.146808 (E_RNA) where: Base-Base interactions energy: -326.022 where: short stacking energy: -163.721 Base-Backbone interact. energy: -1.840 local terms energy: -205.285456 where: bonds (distance) C4'-P energy: -53.226 bonds (distance) P-C4' energy: -32.094 flat angles C4'-P-C4' energy: -57.072 flat angles P-C4'-P energy: -32.098 tors. eta vs tors. theta energy: -30.795 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: 461 Temperature: 1.350000 Total energy: -449.823184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.823184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.823184 (E_RNA) where: Base-Base interactions energy: -246.177 where: short stacking energy: -126.174 Base-Backbone interact. energy: -1.649 local terms energy: -201.996721 where: bonds (distance) C4'-P energy: -60.338 bonds (distance) P-C4' energy: -50.430 flat angles C4'-P-C4' energy: -54.749 flat angles P-C4'-P energy: -19.850 tors. eta vs tors. theta energy: -16.630 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: 2 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -1176.800348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.800348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.800348 (E_RNA) where: Base-Base interactions energy: -822.823 where: short stacking energy: -342.870 Base-Backbone interact. energy: -0.484 local terms energy: -353.493140 where: bonds (distance) C4'-P energy: -54.704 bonds (distance) P-C4' energy: -67.821 flat angles C4'-P-C4' energy: -76.332 flat angles P-C4'-P energy: -49.028 tors. eta vs tors. theta energy: -105.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -1092.121544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.121544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.121544 (E_RNA) where: Base-Base interactions energy: -756.596 where: short stacking energy: -304.145 Base-Backbone interact. energy: -1.465 local terms energy: -334.060892 where: bonds (distance) C4'-P energy: -58.139 bonds (distance) P-C4' energy: -60.500 flat angles C4'-P-C4' energy: -71.039 flat angles P-C4'-P energy: -54.119 tors. eta vs tors. theta energy: -90.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -1059.084575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.084575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.084575 (E_RNA) where: Base-Base interactions energy: -710.984 where: short stacking energy: -321.400 Base-Backbone interact. energy: -0.489 local terms energy: -347.611674 where: bonds (distance) C4'-P energy: -60.296 bonds (distance) P-C4' energy: -63.074 flat angles C4'-P-C4' energy: -72.215 flat angles P-C4'-P energy: -48.552 tors. eta vs tors. theta energy: -103.474 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: 3 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -976.232546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.232546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.232546 (E_RNA) where: Base-Base interactions energy: -656.670 where: short stacking energy: -292.558 Base-Backbone interact. energy: 0.400 local terms energy: -319.962733 where: bonds (distance) C4'-P energy: -64.849 bonds (distance) P-C4' energy: -50.632 flat angles C4'-P-C4' energy: -71.286 flat angles P-C4'-P energy: -45.576 tors. eta vs tors. theta energy: -87.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -966.135971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.135971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.135971 (E_RNA) where: Base-Base interactions energy: -650.738 where: short stacking energy: -299.615 Base-Backbone interact. energy: 0.057 local terms energy: -315.454726 where: bonds (distance) C4'-P energy: -58.606 bonds (distance) P-C4' energy: -61.092 flat angles C4'-P-C4' energy: -64.266 flat angles P-C4'-P energy: -37.017 tors. eta vs tors. theta energy: -94.473 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: 10 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -854.055284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.055284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.055284 (E_RNA) where: Base-Base interactions energy: -561.170 where: short stacking energy: -270.385 Base-Backbone interact. energy: -1.334 local terms energy: -291.551282 where: bonds (distance) C4'-P energy: -58.367 bonds (distance) P-C4' energy: -56.341 flat angles C4'-P-C4' energy: -64.335 flat angles P-C4'-P energy: -36.482 tors. eta vs tors. theta energy: -76.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -751.971211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.971211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.971211 (E_RNA) where: Base-Base interactions energy: -498.218 where: short stacking energy: -216.379 Base-Backbone interact. energy: -0.101 local terms energy: -253.652404 where: bonds (distance) C4'-P energy: -55.485 bonds (distance) P-C4' energy: -51.146 flat angles C4'-P-C4' energy: -56.989 flat angles P-C4'-P energy: -33.122 tors. eta vs tors. theta energy: -56.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -675.399671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.399671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.399671 (E_RNA) where: Base-Base interactions energy: -436.801 where: short stacking energy: -202.557 Base-Backbone interact. energy: 1.914 local terms energy: -240.513050 where: bonds (distance) C4'-P energy: -41.991 bonds (distance) P-C4' energy: -60.567 flat angles C4'-P-C4' energy: -60.691 flat angles P-C4'-P energy: -36.553 tors. eta vs tors. theta energy: -40.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -546.048336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.048336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.048336 (E_RNA) where: Base-Base interactions energy: -345.886 where: short stacking energy: -167.324 Base-Backbone interact. energy: -0.051 local terms energy: -200.110983 where: bonds (distance) C4'-P energy: -50.377 bonds (distance) P-C4' energy: -46.144 flat angles C4'-P-C4' energy: -44.960 flat angles P-C4'-P energy: -32.868 tors. eta vs tors. theta energy: -25.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -445.779289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.779289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.779289 (E_RNA) where: Base-Base interactions energy: -259.390 where: short stacking energy: -124.746 Base-Backbone interact. energy: -0.710 local terms energy: -185.679416 where: bonds (distance) C4'-P energy: -49.543 bonds (distance) P-C4' energy: -55.339 flat angles C4'-P-C4' energy: -53.347 flat angles P-C4'-P energy: -20.263 tors. eta vs tors. theta energy: -7.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -1193.743044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.743044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.743044 (E_RNA) where: Base-Base interactions energy: -834.168 where: short stacking energy: -365.719 Base-Backbone interact. energy: -0.268 local terms energy: -359.306927 where: bonds (distance) C4'-P energy: -55.698 bonds (distance) P-C4' energy: -71.603 flat angles C4'-P-C4' energy: -71.127 flat angles P-C4'-P energy: -56.731 tors. eta vs tors. theta energy: -104.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -1100.591401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.591401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.591401 (E_RNA) where: Base-Base interactions energy: -754.928 where: short stacking energy: -311.845 Base-Backbone interact. energy: 4.799 local terms energy: -350.462304 where: bonds (distance) C4'-P energy: -61.595 bonds (distance) P-C4' energy: -63.657 flat angles C4'-P-C4' energy: -74.079 flat angles P-C4'-P energy: -58.231 tors. eta vs tors. theta energy: -92.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -1063.377229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.377229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.377229 (E_RNA) where: Base-Base interactions energy: -724.090 where: short stacking energy: -309.463 Base-Backbone interact. energy: -1.026 local terms energy: -338.261718 where: bonds (distance) C4'-P energy: -59.339 bonds (distance) P-C4' energy: -65.537 flat angles C4'-P-C4' energy: -69.300 flat angles P-C4'-P energy: -44.228 tors. eta vs tors. theta energy: -99.858 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: 4 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -990.082425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.082425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.082425 (E_RNA) where: Base-Base interactions energy: -686.528 where: short stacking energy: -299.976 Base-Backbone interact. energy: 1.677 local terms energy: -305.231142 where: bonds (distance) C4'-P energy: -45.574 bonds (distance) P-C4' energy: -55.282 flat angles C4'-P-C4' energy: -73.804 flat angles P-C4'-P energy: -42.957 tors. eta vs tors. theta energy: -87.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -947.595932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.595932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.595932 (E_RNA) where: Base-Base interactions energy: -622.406 where: short stacking energy: -277.461 Base-Backbone interact. energy: -0.037 local terms energy: -325.152483 where: bonds (distance) C4'-P energy: -55.669 bonds (distance) P-C4' energy: -64.360 flat angles C4'-P-C4' energy: -73.569 flat angles P-C4'-P energy: -43.768 tors. eta vs tors. theta energy: -87.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -814.387240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.387240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.387240 (E_RNA) where: Base-Base interactions energy: -524.742 where: short stacking energy: -228.712 Base-Backbone interact. energy: 0.061 local terms energy: -289.706419 where: bonds (distance) C4'-P energy: -53.653 bonds (distance) P-C4' energy: -58.518 flat angles C4'-P-C4' energy: -67.566 flat angles P-C4'-P energy: -42.208 tors. eta vs tors. theta energy: -67.762 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: 7, replica: 7 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -757.065402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.065402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.065402 (E_RNA) where: Base-Base interactions energy: -481.134 where: short stacking energy: -226.449 Base-Backbone interact. energy: 0.116 local terms energy: -276.047386 where: bonds (distance) C4'-P energy: -55.023 bonds (distance) P-C4' energy: -50.663 flat angles C4'-P-C4' energy: -61.788 flat angles P-C4'-P energy: -48.400 tors. eta vs tors. theta energy: -60.173 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: 9 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -649.694389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.694389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.694389 (E_RNA) where: Base-Base interactions energy: -421.449 where: short stacking energy: -175.199 Base-Backbone interact. energy: 0.013 local terms energy: -228.257995 where: bonds (distance) C4'-P energy: -51.691 bonds (distance) P-C4' energy: -56.809 flat angles C4'-P-C4' energy: -57.143 flat angles P-C4'-P energy: -30.292 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: 9, replica: 6 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -529.916888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.916888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.916888 (E_RNA) where: Base-Base interactions energy: -318.165 where: short stacking energy: -161.549 Base-Backbone interact. energy: 1.348 local terms energy: -213.100195 where: bonds (distance) C4'-P energy: -48.339 bonds (distance) P-C4' energy: -57.980 flat angles C4'-P-C4' energy: -49.913 flat angles P-C4'-P energy: -31.101 tors. eta vs tors. theta energy: -25.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -465.142817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.142817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.142817 (E_RNA) where: Base-Base interactions energy: -239.114 where: short stacking energy: -123.645 Base-Backbone interact. energy: 0.577 local terms energy: -226.605998 where: bonds (distance) C4'-P energy: -55.522 bonds (distance) P-C4' energy: -52.215 flat angles C4'-P-C4' energy: -52.641 flat angles P-C4'-P energy: -34.931 tors. eta vs tors. theta energy: -31.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -1198.677076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.677076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.677076 (E_RNA) where: Base-Base interactions energy: -832.629 where: short stacking energy: -364.486 Base-Backbone interact. energy: -0.052 local terms energy: -365.996514 where: bonds (distance) C4'-P energy: -58.794 bonds (distance) P-C4' energy: -66.425 flat angles C4'-P-C4' energy: -75.765 flat angles P-C4'-P energy: -54.135 tors. eta vs tors. theta energy: -110.877 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: 8 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -1075.709427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.709427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.709427 (E_RNA) where: Base-Base interactions energy: -752.035 where: short stacking energy: -305.375 Base-Backbone interact. energy: -0.034 local terms energy: -323.639758 where: bonds (distance) C4'-P energy: -57.773 bonds (distance) P-C4' energy: -63.264 flat angles C4'-P-C4' energy: -68.325 flat angles P-C4'-P energy: -43.774 tors. eta vs tors. theta energy: -90.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -1042.436213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.436213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.436213 (E_RNA) where: Base-Base interactions energy: -717.560 where: short stacking energy: -306.337 Base-Backbone interact. energy: -1.087 local terms energy: -323.789314 where: bonds (distance) C4'-P energy: -62.680 bonds (distance) P-C4' energy: -56.677 flat angles C4'-P-C4' energy: -69.814 flat angles P-C4'-P energy: -47.553 tors. eta vs tors. theta energy: -87.066 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: 464 Temperature: 1.050000 Total energy: -979.584132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.584132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.584132 (E_RNA) where: Base-Base interactions energy: -664.512 where: short stacking energy: -283.911 Base-Backbone interact. energy: -1.508 local terms energy: -313.563958 where: bonds (distance) C4'-P energy: -52.549 bonds (distance) P-C4' energy: -54.099 flat angles C4'-P-C4' energy: -68.470 flat angles P-C4'-P energy: -55.054 tors. eta vs tors. theta energy: -83.393 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: 3 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -974.171791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.171791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.171791 (E_RNA) where: Base-Base interactions energy: -651.950 where: short stacking energy: -291.048 Base-Backbone interact. energy: -1.628 local terms energy: -320.593500 where: bonds (distance) C4'-P energy: -52.403 bonds (distance) P-C4' energy: -56.495 flat angles C4'-P-C4' energy: -70.598 flat angles P-C4'-P energy: -46.924 tors. eta vs tors. theta energy: -94.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -816.735007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.735007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.735007 (E_RNA) where: Base-Base interactions energy: -550.349 where: short stacking energy: -243.188 Base-Backbone interact. energy: 0.040 local terms energy: -266.425472 where: bonds (distance) C4'-P energy: -52.509 bonds (distance) P-C4' energy: -54.731 flat angles C4'-P-C4' energy: -58.384 flat angles P-C4'-P energy: -35.643 tors. eta vs tors. theta energy: -65.158 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: 7 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -754.036836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.036836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.036836 (E_RNA) where: Base-Base interactions energy: -508.318 where: short stacking energy: -226.838 Base-Backbone interact. energy: -0.209 local terms energy: -245.509752 where: bonds (distance) C4'-P energy: -43.899 bonds (distance) P-C4' energy: -49.613 flat angles C4'-P-C4' energy: -58.572 flat angles P-C4'-P energy: -32.678 tors. eta vs tors. theta energy: -60.747 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: 8, replica: 9 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -690.783126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.783126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.783126 (E_RNA) where: Base-Base interactions energy: -430.731 where: short stacking energy: -190.077 Base-Backbone interact. energy: -0.426 local terms energy: -259.625667 where: bonds (distance) C4'-P energy: -47.347 bonds (distance) P-C4' energy: -53.840 flat angles C4'-P-C4' energy: -68.332 flat angles P-C4'-P energy: -38.721 tors. eta vs tors. theta energy: -51.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -506.285318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.285318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.285318 (E_RNA) where: Base-Base interactions energy: -284.744 where: short stacking energy: -138.817 Base-Backbone interact. energy: 0.171 local terms energy: -221.712416 where: bonds (distance) C4'-P energy: -49.354 bonds (distance) P-C4' energy: -52.529 flat angles C4'-P-C4' energy: -57.702 flat angles P-C4'-P energy: -40.435 tors. eta vs tors. theta energy: -21.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -425.164249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.164249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.164249 (E_RNA) where: Base-Base interactions energy: -237.995 where: short stacking energy: -125.872 Base-Backbone interact. energy: 1.274 local terms energy: -188.443593 where: bonds (distance) C4'-P energy: -51.748 bonds (distance) P-C4' energy: -57.087 flat angles C4'-P-C4' energy: -45.263 flat angles P-C4'-P energy: -27.057 tors. eta vs tors. theta energy: -7.289 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: 2 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -1203.257164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.257164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.257164 (E_RNA) where: Base-Base interactions energy: -833.252 where: short stacking energy: -350.016 Base-Backbone interact. energy: -0.410 local terms energy: -369.595173 where: bonds (distance) C4'-P energy: -54.451 bonds (distance) P-C4' energy: -71.608 flat angles C4'-P-C4' energy: -82.072 flat angles P-C4'-P energy: -52.518 tors. eta vs tors. theta energy: -108.946 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: 8 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -1108.000436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.000436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.000436 (E_RNA) where: Base-Base interactions energy: -771.311 where: short stacking energy: -334.053 Base-Backbone interact. energy: -0.020 local terms energy: -336.669652 where: bonds (distance) C4'-P energy: -61.327 bonds (distance) P-C4' energy: -60.980 flat angles C4'-P-C4' energy: -69.397 flat angles P-C4'-P energy: -48.311 tors. eta vs tors. theta energy: -96.655 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: 1 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -1055.415298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.415298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.415298 (E_RNA) where: Base-Base interactions energy: -715.571 where: short stacking energy: -298.757 Base-Backbone interact. energy: -1.855 local terms energy: -337.989824 where: bonds (distance) C4'-P energy: -60.924 bonds (distance) P-C4' energy: -72.162 flat angles C4'-P-C4' energy: -66.556 flat angles P-C4'-P energy: -53.834 tors. eta vs tors. theta energy: -84.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -1009.597738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.597738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.597738 (E_RNA) where: Base-Base interactions energy: -688.949 where: short stacking energy: -321.806 Base-Backbone interact. energy: 3.046 local terms energy: -323.694937 where: bonds (distance) C4'-P energy: -44.340 bonds (distance) P-C4' energy: -68.747 flat angles C4'-P-C4' energy: -70.033 flat angles P-C4'-P energy: -44.601 tors. eta vs tors. theta energy: -95.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -921.186048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.186048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.186048 (E_RNA) where: Base-Base interactions energy: -620.329 where: short stacking energy: -275.069 Base-Backbone interact. energy: -1.635 local terms energy: -299.222218 where: bonds (distance) C4'-P energy: -63.848 bonds (distance) P-C4' energy: -56.131 flat angles C4'-P-C4' energy: -64.430 flat angles P-C4'-P energy: -35.475 tors. eta vs tors. theta energy: -79.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -775.250957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.250957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.250957 (E_RNA) where: Base-Base interactions energy: -497.137 where: short stacking energy: -242.409 Base-Backbone interact. energy: -0.807 local terms energy: -277.307540 where: bonds (distance) C4'-P energy: -54.940 bonds (distance) P-C4' energy: -57.836 flat angles C4'-P-C4' energy: -54.157 flat angles P-C4'-P energy: -39.061 tors. eta vs tors. theta energy: -71.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -805.324943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.324943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.324943 (E_RNA) where: Base-Base interactions energy: -538.118 where: short stacking energy: -242.251 Base-Backbone interact. energy: 1.369 local terms energy: -268.576260 where: bonds (distance) C4'-P energy: -41.650 bonds (distance) P-C4' energy: -61.772 flat angles C4'-P-C4' energy: -59.945 flat angles P-C4'-P energy: -36.354 tors. eta vs tors. theta energy: -68.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -675.033232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.033232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.033232 (E_RNA) where: Base-Base interactions energy: -441.413 where: short stacking energy: -203.147 Base-Backbone interact. energy: -0.052 local terms energy: -233.568633 where: bonds (distance) C4'-P energy: -53.042 bonds (distance) P-C4' energy: -50.912 flat angles C4'-P-C4' energy: -47.908 flat angles P-C4'-P energy: -37.483 tors. eta vs tors. theta energy: -44.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -506.201295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.201295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.201295 (E_RNA) where: Base-Base interactions energy: -301.635 where: short stacking energy: -162.782 Base-Backbone interact. energy: 2.113 local terms energy: -206.679194 where: bonds (distance) C4'-P energy: -46.244 bonds (distance) P-C4' energy: -51.223 flat angles C4'-P-C4' energy: -50.803 flat angles P-C4'-P energy: -27.060 tors. eta vs tors. theta energy: -31.350 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: 5 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -390.973490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.973490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.973490 (E_RNA) where: Base-Base interactions energy: -209.383 where: short stacking energy: -110.393 Base-Backbone interact. energy: 0.114 local terms energy: -181.703962 where: bonds (distance) C4'-P energy: -58.878 bonds (distance) P-C4' energy: -51.657 flat angles C4'-P-C4' energy: -30.053 flat angles P-C4'-P energy: -27.016 tors. eta vs tors. theta energy: -14.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -1193.124863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.124863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.124863 (E_RNA) where: Base-Base interactions energy: -816.755 where: short stacking energy: -363.827 Base-Backbone interact. energy: -0.481 local terms energy: -375.888845 where: bonds (distance) C4'-P energy: -64.840 bonds (distance) P-C4' energy: -66.057 flat angles C4'-P-C4' energy: -76.326 flat angles P-C4'-P energy: -57.845 tors. eta vs tors. theta energy: -110.822 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: 8 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -1100.489734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.489734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.489734 (E_RNA) where: Base-Base interactions energy: -748.642 where: short stacking energy: -313.014 Base-Backbone interact. energy: -1.292 local terms energy: -350.555651 where: bonds (distance) C4'-P energy: -68.312 bonds (distance) P-C4' energy: -66.292 flat angles C4'-P-C4' energy: -72.508 flat angles P-C4'-P energy: -44.685 tors. eta vs tors. theta energy: -98.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -1034.834442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.834442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.834442 (E_RNA) where: Base-Base interactions energy: -711.462 where: short stacking energy: -320.176 Base-Backbone interact. energy: 0.735 local terms energy: -324.107038 where: bonds (distance) C4'-P energy: -53.203 bonds (distance) P-C4' energy: -57.414 flat angles C4'-P-C4' energy: -65.705 flat angles P-C4'-P energy: -51.908 tors. eta vs tors. theta energy: -95.877 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: 4, replica: 3 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -982.052734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.052734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.052734 (E_RNA) where: Base-Base interactions energy: -674.411 where: short stacking energy: -288.037 Base-Backbone interact. energy: -0.150 local terms energy: -307.491292 where: bonds (distance) C4'-P energy: -49.996 bonds (distance) P-C4' energy: -56.633 flat angles C4'-P-C4' energy: -70.143 flat angles P-C4'-P energy: -41.089 tors. eta vs tors. theta energy: -89.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -920.844808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.844808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.844808 (E_RNA) where: Base-Base interactions energy: -617.697 where: short stacking energy: -243.898 Base-Backbone interact. energy: 0.336 local terms energy: -303.484211 where: bonds (distance) C4'-P energy: -62.084 bonds (distance) P-C4' energy: -53.427 flat angles C4'-P-C4' energy: -61.793 flat angles P-C4'-P energy: -49.641 tors. eta vs tors. theta energy: -76.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -801.297420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.297420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.297420 (E_RNA) where: Base-Base interactions energy: -523.702 where: short stacking energy: -239.768 Base-Backbone interact. energy: -1.202 local terms energy: -276.394004 where: bonds (distance) C4'-P energy: -56.415 bonds (distance) P-C4' energy: -59.036 flat angles C4'-P-C4' energy: -57.845 flat angles P-C4'-P energy: -39.670 tors. eta vs tors. theta energy: -63.427 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: 7, replica: 10 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -804.534951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.534951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.534951 (E_RNA) where: Base-Base interactions energy: -543.938 where: short stacking energy: -251.546 Base-Backbone interact. energy: -0.956 local terms energy: -259.640929 where: bonds (distance) C4'-P energy: -53.297 bonds (distance) P-C4' energy: -52.751 flat angles C4'-P-C4' energy: -61.459 flat angles P-C4'-P energy: -36.346 tors. eta vs tors. theta energy: -55.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -665.642206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.642206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.642206 (E_RNA) where: Base-Base interactions energy: -400.462 where: short stacking energy: -194.601 Base-Backbone interact. energy: -1.525 local terms energy: -263.655353 where: bonds (distance) C4'-P energy: -54.090 bonds (distance) P-C4' energy: -63.862 flat angles C4'-P-C4' energy: -56.365 flat angles P-C4'-P energy: -42.524 tors. eta vs tors. theta energy: -46.814 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: 6 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -489.624123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.624123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.624123 (E_RNA) where: Base-Base interactions energy: -295.120 where: short stacking energy: -141.617 Base-Backbone interact. energy: -1.473 local terms energy: -193.030372 where: bonds (distance) C4'-P energy: -46.651 bonds (distance) P-C4' energy: -58.173 flat angles C4'-P-C4' energy: -47.179 flat angles P-C4'-P energy: -22.091 tors. eta vs tors. theta energy: -18.936 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: 5 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -403.484676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.484676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.484676 (E_RNA) where: Base-Base interactions energy: -220.673 where: short stacking energy: -123.697 Base-Backbone interact. energy: -0.116 local terms energy: -182.695605 where: bonds (distance) C4'-P energy: -52.152 bonds (distance) P-C4' energy: -53.853 flat angles C4'-P-C4' energy: -27.848 flat angles P-C4'-P energy: -35.656 tors. eta vs tors. theta energy: -13.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -1162.307805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.307805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.307805 (E_RNA) where: Base-Base interactions energy: -816.097 where: short stacking energy: -355.333 Base-Backbone interact. energy: 1.443 local terms energy: -347.654117 where: bonds (distance) C4'-P energy: -57.577 bonds (distance) P-C4' energy: -60.417 flat angles C4'-P-C4' energy: -71.943 flat angles P-C4'-P energy: -51.945 tors. eta vs tors. theta energy: -105.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -1113.852422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.852422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.852422 (E_RNA) where: Base-Base interactions energy: -760.195 where: short stacking energy: -307.918 Base-Backbone interact. energy: 2.864 local terms energy: -356.520628 where: bonds (distance) C4'-P energy: -65.894 bonds (distance) P-C4' energy: -66.377 flat angles C4'-P-C4' energy: -73.158 flat angles P-C4'-P energy: -51.948 tors. eta vs tors. theta energy: -99.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -1047.144874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.144874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.144874 (E_RNA) where: Base-Base interactions energy: -706.870 where: short stacking energy: -299.750 Base-Backbone interact. energy: 0.278 local terms energy: -340.552246 where: bonds (distance) C4'-P energy: -63.814 bonds (distance) P-C4' energy: -66.144 flat angles C4'-P-C4' energy: -69.219 flat angles P-C4'-P energy: -42.615 tors. eta vs tors. theta energy: -98.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -969.890309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.890309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.890309 (E_RNA) where: Base-Base interactions energy: -645.567 where: short stacking energy: -277.864 Base-Backbone interact. energy: -1.288 local terms energy: -323.035222 where: bonds (distance) C4'-P energy: -61.387 bonds (distance) P-C4' energy: -59.906 flat angles C4'-P-C4' energy: -75.963 flat angles P-C4'-P energy: -42.233 tors. eta vs tors. theta energy: -83.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -912.650668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.650668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.650668 (E_RNA) where: Base-Base interactions energy: -604.685 where: short stacking energy: -277.508 Base-Backbone interact. energy: 0.787 local terms energy: -308.752210 where: bonds (distance) C4'-P energy: -63.683 bonds (distance) P-C4' energy: -57.157 flat angles C4'-P-C4' energy: -61.128 flat angles P-C4'-P energy: -46.480 tors. eta vs tors. theta energy: -80.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -813.966774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.966774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.966774 (E_RNA) where: Base-Base interactions energy: -523.953 where: short stacking energy: -241.919 Base-Backbone interact. energy: -0.151 local terms energy: -289.862823 where: bonds (distance) C4'-P energy: -58.311 bonds (distance) P-C4' energy: -51.927 flat angles C4'-P-C4' energy: -68.492 flat angles P-C4'-P energy: -34.017 tors. eta vs tors. theta energy: -77.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -797.725714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.725714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.725714 (E_RNA) where: Base-Base interactions energy: -511.157 where: short stacking energy: -234.014 Base-Backbone interact. energy: -0.170 local terms energy: -286.398012 where: bonds (distance) C4'-P energy: -62.525 bonds (distance) P-C4' energy: -49.153 flat angles C4'-P-C4' energy: -61.806 flat angles P-C4'-P energy: -46.908 tors. eta vs tors. theta energy: -66.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -608.994222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.994222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.994222 (E_RNA) where: Base-Base interactions energy: -373.161 where: short stacking energy: -158.803 Base-Backbone interact. energy: -2.148 local terms energy: -233.685343 where: bonds (distance) C4'-P energy: -53.298 bonds (distance) P-C4' energy: -65.762 flat angles C4'-P-C4' energy: -55.483 flat angles P-C4'-P energy: -29.090 tors. eta vs tors. theta energy: -30.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -513.370398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.370398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.370398 (E_RNA) where: Base-Base interactions energy: -311.587 where: short stacking energy: -145.113 Base-Backbone interact. energy: -0.685 local terms energy: -201.098323 where: bonds (distance) C4'-P energy: -43.248 bonds (distance) P-C4' energy: -44.871 flat angles C4'-P-C4' energy: -47.973 flat angles P-C4'-P energy: -42.021 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: 467 Temperature: 1.350000 Total energy: -442.920937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.920937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.920937 (E_RNA) where: Base-Base interactions energy: -244.304 where: short stacking energy: -134.739 Base-Backbone interact. energy: -0.830 local terms energy: -197.787149 where: bonds (distance) C4'-P energy: -59.915 bonds (distance) P-C4' energy: -46.073 flat angles C4'-P-C4' energy: -39.619 flat angles P-C4'-P energy: -38.594 tors. eta vs tors. theta energy: -13.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -1211.466744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.466744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.466744 (E_RNA) where: Base-Base interactions energy: -842.111 where: short stacking energy: -366.257 Base-Backbone interact. energy: -1.389 local terms energy: -367.966176 where: bonds (distance) C4'-P energy: -64.720 bonds (distance) P-C4' energy: -62.231 flat angles C4'-P-C4' energy: -75.187 flat angles P-C4'-P energy: -58.673 tors. eta vs tors. theta energy: -107.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -1086.506263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.506263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.506263 (E_RNA) where: Base-Base interactions energy: -750.748 where: short stacking energy: -303.224 Base-Backbone interact. energy: -2.971 local terms energy: -332.787156 where: bonds (distance) C4'-P energy: -63.715 bonds (distance) P-C4' energy: -71.680 flat angles C4'-P-C4' energy: -70.844 flat angles P-C4'-P energy: -43.431 tors. eta vs tors. theta energy: -83.117 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: 1 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -1046.766285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.766285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.766285 (E_RNA) where: Base-Base interactions energy: -715.411 where: short stacking energy: -327.740 Base-Backbone interact. energy: 0.010 local terms energy: -331.365045 where: bonds (distance) C4'-P energy: -58.906 bonds (distance) P-C4' energy: -62.487 flat angles C4'-P-C4' energy: -71.493 flat angles P-C4'-P energy: -42.727 tors. eta vs tors. theta energy: -95.752 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: 4, replica: 3 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -1004.345279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.345279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.345279 (E_RNA) where: Base-Base interactions energy: -672.785 where: short stacking energy: -301.608 Base-Backbone interact. energy: 0.088 local terms energy: -331.648326 where: bonds (distance) C4'-P energy: -58.658 bonds (distance) P-C4' energy: -68.976 flat angles C4'-P-C4' energy: -66.799 flat angles P-C4'-P energy: -46.438 tors. eta vs tors. theta energy: -90.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -912.390682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.390682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.390682 (E_RNA) where: Base-Base interactions energy: -598.693 where: short stacking energy: -271.117 Base-Backbone interact. energy: -1.702 local terms energy: -311.994836 where: bonds (distance) C4'-P energy: -56.591 bonds (distance) P-C4' energy: -64.173 flat angles C4'-P-C4' energy: -66.200 flat angles P-C4'-P energy: -44.224 tors. eta vs tors. theta energy: -80.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -839.877541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.877541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.877541 (E_RNA) where: Base-Base interactions energy: -544.516 where: short stacking energy: -239.636 Base-Backbone interact. energy: 0.493 local terms energy: -295.854157 where: bonds (distance) C4'-P energy: -58.945 bonds (distance) P-C4' energy: -65.819 flat angles C4'-P-C4' energy: -60.639 flat angles P-C4'-P energy: -40.610 tors. eta vs tors. theta energy: -69.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -760.251483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.251483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.251483 (E_RNA) where: Base-Base interactions energy: -488.713 where: short stacking energy: -208.557 Base-Backbone interact. energy: -0.698 local terms energy: -270.840270 where: bonds (distance) C4'-P energy: -49.066 bonds (distance) P-C4' energy: -55.568 flat angles C4'-P-C4' energy: -66.742 flat angles P-C4'-P energy: -44.545 tors. eta vs tors. theta energy: -54.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -600.004567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.004567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.004567 (E_RNA) where: Base-Base interactions energy: -358.532 where: short stacking energy: -185.132 Base-Backbone interact. energy: -1.281 local terms energy: -240.191457 where: bonds (distance) C4'-P energy: -47.835 bonds (distance) P-C4' energy: -63.588 flat angles C4'-P-C4' energy: -53.663 flat angles P-C4'-P energy: -36.319 tors. eta vs tors. theta energy: -38.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -461.988190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.988190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.988190 (E_RNA) where: Base-Base interactions energy: -251.779 where: short stacking energy: -135.293 Base-Backbone interact. energy: -0.234 local terms energy: -209.975232 where: bonds (distance) C4'-P energy: -49.991 bonds (distance) P-C4' energy: -65.302 flat angles C4'-P-C4' energy: -54.081 flat angles P-C4'-P energy: -20.521 tors. eta vs tors. theta energy: -20.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -442.349519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.349519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.349519 (E_RNA) where: Base-Base interactions energy: -258.395 where: short stacking energy: -115.503 Base-Backbone interact. energy: -1.361 local terms energy: -182.593010 where: bonds (distance) C4'-P energy: -42.709 bonds (distance) P-C4' energy: -55.754 flat angles C4'-P-C4' energy: -31.733 flat angles P-C4'-P energy: -40.075 tors. eta vs tors. theta energy: -12.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -1190.629584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.629584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.629584 (E_RNA) where: Base-Base interactions energy: -822.508 where: short stacking energy: -355.826 Base-Backbone interact. energy: -1.371 local terms energy: -366.750711 where: bonds (distance) C4'-P energy: -64.997 bonds (distance) P-C4' energy: -66.135 flat angles C4'-P-C4' energy: -73.312 flat angles P-C4'-P energy: -56.042 tors. eta vs tors. theta energy: -106.265 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: 1 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -1055.742271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.742271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.742271 (E_RNA) where: Base-Base interactions energy: -718.061 where: short stacking energy: -312.951 Base-Backbone interact. energy: -0.064 local terms energy: -337.617140 where: bonds (distance) C4'-P energy: -62.939 bonds (distance) P-C4' energy: -65.930 flat angles C4'-P-C4' energy: -71.028 flat angles P-C4'-P energy: -46.029 tors. eta vs tors. theta energy: -91.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -1061.399267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.399267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.399267 (E_RNA) where: Base-Base interactions energy: -739.565 where: short stacking energy: -295.703 Base-Backbone interact. energy: -2.038 local terms energy: -319.796784 where: bonds (distance) C4'-P energy: -54.223 bonds (distance) P-C4' energy: -66.312 flat angles C4'-P-C4' energy: -70.431 flat angles P-C4'-P energy: -44.957 tors. eta vs tors. theta energy: -83.873 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: 3 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -1022.025952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.025952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.025952 (E_RNA) where: Base-Base interactions energy: -707.082 where: short stacking energy: -319.225 Base-Backbone interact. energy: -0.315 local terms energy: -314.628090 where: bonds (distance) C4'-P energy: -63.301 bonds (distance) P-C4' energy: -59.294 flat angles C4'-P-C4' energy: -63.185 flat angles P-C4'-P energy: -39.179 tors. eta vs tors. theta energy: -89.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -895.478765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.478765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.478765 (E_RNA) where: Base-Base interactions energy: -601.537 where: short stacking energy: -245.106 Base-Backbone interact. energy: -1.875 local terms energy: -292.066986 where: bonds (distance) C4'-P energy: -54.649 bonds (distance) P-C4' energy: -58.593 flat angles C4'-P-C4' energy: -67.399 flat angles P-C4'-P energy: -45.308 tors. eta vs tors. theta energy: -66.119 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: 7 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -823.982172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.982172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.982172 (E_RNA) where: Base-Base interactions energy: -550.528 where: short stacking energy: -242.449 Base-Backbone interact. energy: 0.377 local terms energy: -273.830306 where: bonds (distance) C4'-P energy: -49.369 bonds (distance) P-C4' energy: -48.425 flat angles C4'-P-C4' energy: -52.260 flat angles P-C4'-P energy: -53.283 tors. eta vs tors. theta energy: -70.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -718.129667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.129667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.129667 (E_RNA) where: Base-Base interactions energy: -465.085 where: short stacking energy: -198.572 Base-Backbone interact. energy: 0.400 local terms energy: -253.444059 where: bonds (distance) C4'-P energy: -48.835 bonds (distance) P-C4' energy: -55.022 flat angles C4'-P-C4' energy: -61.220 flat angles P-C4'-P energy: -42.707 tors. eta vs tors. theta energy: -45.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -637.914161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.914161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.914161 (E_RNA) where: Base-Base interactions energy: -388.773 where: short stacking energy: -173.237 Base-Backbone interact. energy: -1.051 local terms energy: -248.090563 where: bonds (distance) C4'-P energy: -44.029 bonds (distance) P-C4' energy: -63.465 flat angles C4'-P-C4' energy: -61.615 flat angles P-C4'-P energy: -28.945 tors. eta vs tors. theta energy: -50.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -472.394741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.394741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.394741 (E_RNA) where: Base-Base interactions energy: -281.359 where: short stacking energy: -125.171 Base-Backbone interact. energy: 1.031 local terms energy: -192.067575 where: bonds (distance) C4'-P energy: -48.297 bonds (distance) P-C4' energy: -50.840 flat angles C4'-P-C4' energy: -49.602 flat angles P-C4'-P energy: -28.846 tors. eta vs tors. theta energy: -14.483 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: 6 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -418.575820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.575820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.575820 (E_RNA) where: Base-Base interactions energy: -237.397 where: short stacking energy: -112.433 Base-Backbone interact. energy: -1.574 local terms energy: -179.603880 where: bonds (distance) C4'-P energy: -41.631 bonds (distance) P-C4' energy: -59.271 flat angles C4'-P-C4' energy: -51.230 flat angles P-C4'-P energy: -23.265 tors. eta vs tors. theta energy: -4.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -1180.620978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.620978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.620978 (E_RNA) where: Base-Base interactions energy: -808.336 where: short stacking energy: -359.132 Base-Backbone interact. energy: -0.274 local terms energy: -372.011081 where: bonds (distance) C4'-P energy: -60.987 bonds (distance) P-C4' energy: -66.821 flat angles C4'-P-C4' energy: -77.852 flat angles P-C4'-P energy: -51.198 tors. eta vs tors. theta energy: -115.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -1080.619319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.619319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.619319 (E_RNA) where: Base-Base interactions energy: -737.582 where: short stacking energy: -321.733 Base-Backbone interact. energy: -1.400 local terms energy: -341.637268 where: bonds (distance) C4'-P energy: -63.751 bonds (distance) P-C4' energy: -66.526 flat angles C4'-P-C4' energy: -66.065 flat angles P-C4'-P energy: -51.202 tors. eta vs tors. theta energy: -94.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -1027.969778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.969778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.969778 (E_RNA) where: Base-Base interactions energy: -695.888 where: short stacking energy: -311.033 Base-Backbone interact. energy: -0.761 local terms energy: -331.320673 where: bonds (distance) C4'-P energy: -53.605 bonds (distance) P-C4' energy: -65.644 flat angles C4'-P-C4' energy: -73.385 flat angles P-C4'-P energy: -48.780 tors. eta vs tors. theta energy: -89.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -1059.310274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.310274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.310274 (E_RNA) where: Base-Base interactions energy: -729.875 where: short stacking energy: -296.656 Base-Backbone interact. energy: -1.192 local terms energy: -328.242661 where: bonds (distance) C4'-P energy: -51.882 bonds (distance) P-C4' energy: -68.092 flat angles C4'-P-C4' energy: -58.658 flat angles P-C4'-P energy: -55.886 tors. eta vs tors. theta energy: -93.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -923.098878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.098878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.098878 (E_RNA) where: Base-Base interactions energy: -619.291 where: short stacking energy: -279.609 Base-Backbone interact. energy: -0.923 local terms energy: -302.884409 where: bonds (distance) C4'-P energy: -53.304 bonds (distance) P-C4' energy: -68.225 flat angles C4'-P-C4' energy: -65.709 flat angles P-C4'-P energy: -42.244 tors. eta vs tors. theta energy: -73.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -826.754874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.754874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.754874 (E_RNA) where: Base-Base interactions energy: -547.707 where: short stacking energy: -259.053 Base-Backbone interact. energy: -0.589 local terms energy: -278.458995 where: bonds (distance) C4'-P energy: -40.652 bonds (distance) P-C4' energy: -58.037 flat angles C4'-P-C4' energy: -62.792 flat angles P-C4'-P energy: -43.406 tors. eta vs tors. theta energy: -73.573 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: 7, replica: 10 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -740.934282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.934282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.934282 (E_RNA) where: Base-Base interactions energy: -473.068 where: short stacking energy: -226.117 Base-Backbone interact. energy: 2.318 local terms energy: -270.184261 where: bonds (distance) C4'-P energy: -61.987 bonds (distance) P-C4' energy: -50.996 flat angles C4'-P-C4' energy: -60.284 flat angles P-C4'-P energy: -42.279 tors. eta vs tors. theta energy: -54.639 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: 8, replica: 9 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -610.380762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.380762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.380762 (E_RNA) where: Base-Base interactions energy: -367.110 where: short stacking energy: -198.704 Base-Backbone interact. energy: 0.293 local terms energy: -243.564232 where: bonds (distance) C4'-P energy: -48.152 bonds (distance) P-C4' energy: -43.764 flat angles C4'-P-C4' energy: -66.921 flat angles P-C4'-P energy: -40.126 tors. eta vs tors. theta energy: -44.602 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: 5 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -486.026077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.026077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.026077 (E_RNA) where: Base-Base interactions energy: -270.578 where: short stacking energy: -157.709 Base-Backbone interact. energy: -0.996 local terms energy: -214.452550 where: bonds (distance) C4'-P energy: -39.961 bonds (distance) P-C4' energy: -57.482 flat angles C4'-P-C4' energy: -60.265 flat angles P-C4'-P energy: -25.782 tors. eta vs tors. theta energy: -30.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -422.954362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.954362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.954362 (E_RNA) where: Base-Base interactions energy: -230.283 where: short stacking energy: -119.290 Base-Backbone interact. energy: 4.371 local terms energy: -197.042456 where: bonds (distance) C4'-P energy: -65.244 bonds (distance) P-C4' energy: -56.123 flat angles C4'-P-C4' energy: -42.656 flat angles P-C4'-P energy: -23.598 tors. eta vs tors. theta energy: -9.422 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: 2 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -1167.115831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.115831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.115831 (E_RNA) where: Base-Base interactions energy: -807.979 where: short stacking energy: -352.590 Base-Backbone interact. energy: -0.609 local terms energy: -358.527405 where: bonds (distance) C4'-P energy: -62.502 bonds (distance) P-C4' energy: -66.084 flat angles C4'-P-C4' energy: -70.349 flat angles P-C4'-P energy: -50.217 tors. eta vs tors. theta energy: -109.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -1054.090482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.090482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.090482 (E_RNA) where: Base-Base interactions energy: -717.472 where: short stacking energy: -313.026 Base-Backbone interact. energy: 1.211 local terms energy: -337.830054 where: bonds (distance) C4'-P energy: -63.036 bonds (distance) P-C4' energy: -68.706 flat angles C4'-P-C4' energy: -63.920 flat angles P-C4'-P energy: -47.672 tors. eta vs tors. theta energy: -94.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -1042.317315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.317315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.317315 (E_RNA) where: Base-Base interactions energy: -710.218 where: short stacking energy: -307.708 Base-Backbone interact. energy: -0.656 local terms energy: -331.443404 where: bonds (distance) C4'-P energy: -66.350 bonds (distance) P-C4' energy: -63.084 flat angles C4'-P-C4' energy: -74.158 flat angles P-C4'-P energy: -39.522 tors. eta vs tors. theta energy: -88.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -1053.356216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.356216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.356216 (E_RNA) where: Base-Base interactions energy: -745.872 where: short stacking energy: -297.485 Base-Backbone interact. energy: -1.843 local terms energy: -305.640768 where: bonds (distance) C4'-P energy: -48.945 bonds (distance) P-C4' energy: -54.476 flat angles C4'-P-C4' energy: -63.934 flat angles P-C4'-P energy: -44.915 tors. eta vs tors. theta energy: -93.370 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: 4 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -923.141210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.141210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.141210 (E_RNA) where: Base-Base interactions energy: -608.483 where: short stacking energy: -271.656 Base-Backbone interact. energy: 1.346 local terms energy: -316.004960 where: bonds (distance) C4'-P energy: -59.547 bonds (distance) P-C4' energy: -57.825 flat angles C4'-P-C4' energy: -63.251 flat angles P-C4'-P energy: -53.958 tors. eta vs tors. theta energy: -81.423 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: 6, replica: 7 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -808.439444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.439444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.439444 (E_RNA) where: Base-Base interactions energy: -510.040 where: short stacking energy: -233.208 Base-Backbone interact. energy: -0.330 local terms energy: -298.070049 where: bonds (distance) C4'-P energy: -51.151 bonds (distance) P-C4' energy: -59.603 flat angles C4'-P-C4' energy: -69.000 flat angles P-C4'-P energy: -43.946 tors. eta vs tors. theta energy: -74.371 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: 10 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -739.022582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.022582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.022582 (E_RNA) where: Base-Base interactions energy: -489.926 where: short stacking energy: -205.619 Base-Backbone interact. energy: -0.540 local terms energy: -248.556846 where: bonds (distance) C4'-P energy: -50.066 bonds (distance) P-C4' energy: -49.986 flat angles C4'-P-C4' energy: -59.462 flat angles P-C4'-P energy: -36.600 tors. eta vs tors. theta energy: -52.442 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: 9 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -603.383467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.383467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.383467 (E_RNA) where: Base-Base interactions energy: -364.639 where: short stacking energy: -177.646 Base-Backbone interact. energy: 2.385 local terms energy: -241.129143 where: bonds (distance) C4'-P energy: -51.566 bonds (distance) P-C4' energy: -68.294 flat angles C4'-P-C4' energy: -46.774 flat angles P-C4'-P energy: -39.023 tors. eta vs tors. theta energy: -35.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -472.327512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.327512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.327512 (E_RNA) where: Base-Base interactions energy: -249.912 where: short stacking energy: -139.407 Base-Backbone interact. energy: -0.465 local terms energy: -221.950483 where: bonds (distance) C4'-P energy: -51.481 bonds (distance) P-C4' energy: -56.970 flat angles C4'-P-C4' energy: -45.595 flat angles P-C4'-P energy: -38.304 tors. eta vs tors. theta energy: -29.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -394.828484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.828484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.828484 (E_RNA) where: Base-Base interactions energy: -222.729 where: short stacking energy: -107.228 Base-Backbone interact. energy: 1.699 local terms energy: -173.798598 where: bonds (distance) C4'-P energy: -45.709 bonds (distance) P-C4' energy: -51.444 flat angles C4'-P-C4' energy: -51.392 flat angles P-C4'-P energy: -26.756 tors. eta vs tors. theta energy: 1.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -1172.827066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.827066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.827066 (E_RNA) where: Base-Base interactions energy: -811.951 where: short stacking energy: -359.635 Base-Backbone interact. energy: -0.298 local terms energy: -360.578972 where: bonds (distance) C4'-P energy: -62.958 bonds (distance) P-C4' energy: -64.208 flat angles C4'-P-C4' energy: -76.961 flat angles P-C4'-P energy: -44.878 tors. eta vs tors. theta energy: -111.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -1050.887657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.887657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.887657 (E_RNA) where: Base-Base interactions energy: -715.410 where: short stacking energy: -313.120 Base-Backbone interact. energy: -2.042 local terms energy: -333.435012 where: bonds (distance) C4'-P energy: -57.974 bonds (distance) P-C4' energy: -66.452 flat angles C4'-P-C4' energy: -69.242 flat angles P-C4'-P energy: -40.721 tors. eta vs tors. theta energy: -99.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -1085.317935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.317935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.317935 (E_RNA) where: Base-Base interactions energy: -752.473 where: short stacking energy: -315.313 Base-Backbone interact. energy: -0.669 local terms energy: -332.175822 where: bonds (distance) C4'-P energy: -56.320 bonds (distance) P-C4' energy: -65.849 flat angles C4'-P-C4' energy: -69.888 flat angles P-C4'-P energy: -43.899 tors. eta vs tors. theta energy: -96.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -982.011120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.011120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.011120 (E_RNA) where: Base-Base interactions energy: -669.197 where: short stacking energy: -293.319 Base-Backbone interact. energy: -1.369 local terms energy: -311.445322 where: bonds (distance) C4'-P energy: -48.565 bonds (distance) P-C4' energy: -60.595 flat angles C4'-P-C4' energy: -70.487 flat angles P-C4'-P energy: -48.841 tors. eta vs tors. theta energy: -82.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -929.980810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.980810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.980810 (E_RNA) where: Base-Base interactions energy: -613.834 where: short stacking energy: -274.439 Base-Backbone interact. energy: -1.110 local terms energy: -315.036934 where: bonds (distance) C4'-P energy: -54.090 bonds (distance) P-C4' energy: -59.164 flat angles C4'-P-C4' energy: -68.443 flat angles P-C4'-P energy: -48.514 tors. eta vs tors. theta energy: -84.827 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: 7 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -838.205686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.205686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.205686 (E_RNA) where: Base-Base interactions energy: -553.783 where: short stacking energy: -253.134 Base-Backbone interact. energy: -0.196 local terms energy: -284.226564 where: bonds (distance) C4'-P energy: -48.419 bonds (distance) P-C4' energy: -63.476 flat angles C4'-P-C4' energy: -59.285 flat angles P-C4'-P energy: -44.428 tors. eta vs tors. theta energy: -68.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -734.443867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.443867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.443867 (E_RNA) where: Base-Base interactions energy: -463.955 where: short stacking energy: -203.685 Base-Backbone interact. energy: -1.105 local terms energy: -269.384338 where: bonds (distance) C4'-P energy: -52.616 bonds (distance) P-C4' energy: -52.401 flat angles C4'-P-C4' energy: -58.839 flat angles P-C4'-P energy: -44.727 tors. eta vs tors. theta energy: -60.802 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: 9 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -594.795679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.795679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.795679 (E_RNA) where: Base-Base interactions energy: -361.335 where: short stacking energy: -187.579 Base-Backbone interact. energy: 0.034 local terms energy: -233.494458 where: bonds (distance) C4'-P energy: -46.316 bonds (distance) P-C4' energy: -60.785 flat angles C4'-P-C4' energy: -46.373 flat angles P-C4'-P energy: -41.018 tors. eta vs tors. theta energy: -39.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -448.172921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.172921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.172921 (E_RNA) where: Base-Base interactions energy: -230.944 where: short stacking energy: -129.787 Base-Backbone interact. energy: -0.727 local terms energy: -216.502301 where: bonds (distance) C4'-P energy: -52.493 bonds (distance) P-C4' energy: -59.167 flat angles C4'-P-C4' energy: -49.434 flat angles P-C4'-P energy: -35.335 tors. eta vs tors. theta energy: -20.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -377.932645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.932645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.932645 (E_RNA) where: Base-Base interactions energy: -177.207 where: short stacking energy: -113.852 Base-Backbone interact. energy: -0.371 local terms energy: -200.354666 where: bonds (distance) C4'-P energy: -46.384 bonds (distance) P-C4' energy: -54.066 flat angles C4'-P-C4' energy: -58.725 flat angles P-C4'-P energy: -27.356 tors. eta vs tors. theta energy: -13.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -1174.999251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.999251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.999251 (E_RNA) where: Base-Base interactions energy: -822.541 where: short stacking energy: -357.140 Base-Backbone interact. energy: -0.772 local terms energy: -351.686199 where: bonds (distance) C4'-P energy: -60.884 bonds (distance) P-C4' energy: -62.813 flat angles C4'-P-C4' energy: -71.300 flat angles P-C4'-P energy: -54.358 tors. eta vs tors. theta energy: -102.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -1096.964017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.964017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.964017 (E_RNA) where: Base-Base interactions energy: -771.634 where: short stacking energy: -319.972 Base-Backbone interact. energy: -1.649 local terms energy: -323.681914 where: bonds (distance) C4'-P energy: -52.765 bonds (distance) P-C4' energy: -69.462 flat angles C4'-P-C4' energy: -68.319 flat angles P-C4'-P energy: -40.928 tors. eta vs tors. theta energy: -92.209 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: 1 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -1048.540278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.540278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.540278 (E_RNA) where: Base-Base interactions energy: -723.672 where: short stacking energy: -309.093 Base-Backbone interact. energy: 0.268 local terms energy: -325.136003 where: bonds (distance) C4'-P energy: -56.684 bonds (distance) P-C4' energy: -63.230 flat angles C4'-P-C4' energy: -69.095 flat angles P-C4'-P energy: -44.214 tors. eta vs tors. theta energy: -91.913 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: 4, replica: 3 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -969.435157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.435157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.435157 (E_RNA) where: Base-Base interactions energy: -654.823 where: short stacking energy: -290.422 Base-Backbone interact. energy: -0.715 local terms energy: -313.897754 where: bonds (distance) C4'-P energy: -57.648 bonds (distance) P-C4' energy: -60.814 flat angles C4'-P-C4' energy: -67.628 flat angles P-C4'-P energy: -44.742 tors. eta vs tors. theta energy: -83.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -943.499997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.499997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.499997 (E_RNA) where: Base-Base interactions energy: -645.476 where: short stacking energy: -285.401 Base-Backbone interact. energy: -1.902 local terms energy: -296.121954 where: bonds (distance) C4'-P energy: -52.229 bonds (distance) P-C4' energy: -45.106 flat angles C4'-P-C4' energy: -72.478 flat angles P-C4'-P energy: -39.071 tors. eta vs tors. theta energy: -87.239 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: 6, replica: 7 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -868.611768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.611768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.611768 (E_RNA) where: Base-Base interactions energy: -600.728 where: short stacking energy: -265.866 Base-Backbone interact. energy: -1.561 local terms energy: -266.322679 where: bonds (distance) C4'-P energy: -51.664 bonds (distance) P-C4' energy: -46.139 flat angles C4'-P-C4' energy: -64.275 flat angles P-C4'-P energy: -41.984 tors. eta vs tors. theta energy: -62.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -739.561716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.561716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.561716 (E_RNA) where: Base-Base interactions energy: -483.697 where: short stacking energy: -214.359 Base-Backbone interact. energy: -0.433 local terms energy: -255.432044 where: bonds (distance) C4'-P energy: -68.118 bonds (distance) P-C4' energy: -64.643 flat angles C4'-P-C4' energy: -56.638 flat angles P-C4'-P energy: -22.355 tors. eta vs tors. theta energy: -43.678 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: 9 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -632.237187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.237187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.237187 (E_RNA) where: Base-Base interactions energy: -397.087 where: short stacking energy: -200.601 Base-Backbone interact. energy: 2.539 local terms energy: -237.689596 where: bonds (distance) C4'-P energy: -49.460 bonds (distance) P-C4' energy: -52.585 flat angles C4'-P-C4' energy: -55.738 flat angles P-C4'-P energy: -36.053 tors. eta vs tors. theta energy: -43.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -449.064058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.064058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.064058 (E_RNA) where: Base-Base interactions energy: -256.992 where: short stacking energy: -131.881 Base-Backbone interact. energy: 8.291 local terms energy: -200.362791 where: bonds (distance) C4'-P energy: -54.593 bonds (distance) P-C4' energy: -58.779 flat angles C4'-P-C4' energy: -46.167 flat angles P-C4'-P energy: -29.717 tors. eta vs tors. theta energy: -11.106 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: 10, replica: 6 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -348.747059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.747059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.747059 (E_RNA) where: Base-Base interactions energy: -184.593 where: short stacking energy: -84.827 Base-Backbone interact. energy: 1.436 local terms energy: -165.590241 where: bonds (distance) C4'-P energy: -44.688 bonds (distance) P-C4' energy: -46.762 flat angles C4'-P-C4' energy: -45.021 flat angles P-C4'-P energy: -26.623 tors. eta vs tors. theta energy: -2.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -1175.845904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.845904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.845904 (E_RNA) where: Base-Base interactions energy: -822.565 where: short stacking energy: -357.552 Base-Backbone interact. energy: -0.719 local terms energy: -352.562161 where: bonds (distance) C4'-P energy: -57.525 bonds (distance) P-C4' energy: -71.885 flat angles C4'-P-C4' energy: -67.805 flat angles P-C4'-P energy: -52.615 tors. eta vs tors. theta energy: -102.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -1128.275596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.275596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.275596 (E_RNA) where: Base-Base interactions energy: -772.885 where: short stacking energy: -304.444 Base-Backbone interact. energy: -1.717 local terms energy: -353.673122 where: bonds (distance) C4'-P energy: -74.516 bonds (distance) P-C4' energy: -74.264 flat angles C4'-P-C4' energy: -65.290 flat angles P-C4'-P energy: -41.365 tors. eta vs tors. theta energy: -98.238 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: 1 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -1037.135960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.135960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.135960 (E_RNA) where: Base-Base interactions energy: -710.181 where: short stacking energy: -321.872 Base-Backbone interact. energy: -0.380 local terms energy: -326.574691 where: bonds (distance) C4'-P energy: -65.869 bonds (distance) P-C4' energy: -45.925 flat angles C4'-P-C4' energy: -72.428 flat angles P-C4'-P energy: -42.069 tors. eta vs tors. theta energy: -100.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -1013.525907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.525907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.525907 (E_RNA) where: Base-Base interactions energy: -695.432 where: short stacking energy: -305.971 Base-Backbone interact. energy: -0.615 local terms energy: -317.478327 where: bonds (distance) C4'-P energy: -49.045 bonds (distance) P-C4' energy: -61.107 flat angles C4'-P-C4' energy: -61.016 flat angles P-C4'-P energy: -49.563 tors. eta vs tors. theta energy: -96.748 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: 474 Temperature: 1.100000 Total energy: -895.417538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.417538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.417538 (E_RNA) where: Base-Base interactions energy: -616.330 where: short stacking energy: -263.378 Base-Backbone interact. energy: -1.731 local terms energy: -277.356923 where: bonds (distance) C4'-P energy: -57.741 bonds (distance) P-C4' energy: -52.583 flat angles C4'-P-C4' energy: -56.645 flat angles P-C4'-P energy: -36.595 tors. eta vs tors. theta energy: -73.793 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: 7 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -849.066208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.066208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.066208 (E_RNA) where: Base-Base interactions energy: -584.762 where: short stacking energy: -260.668 Base-Backbone interact. energy: -1.028 local terms energy: -263.276139 where: bonds (distance) C4'-P energy: -51.402 bonds (distance) P-C4' energy: -49.092 flat angles C4'-P-C4' energy: -53.716 flat angles P-C4'-P energy: -47.397 tors. eta vs tors. theta energy: -61.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -730.744797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.744797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.744797 (E_RNA) where: Base-Base interactions energy: -448.152 where: short stacking energy: -191.465 Base-Backbone interact. energy: -1.737 local terms energy: -280.855218 where: bonds (distance) C4'-P energy: -67.243 bonds (distance) P-C4' energy: -58.695 flat angles C4'-P-C4' energy: -64.976 flat angles P-C4'-P energy: -36.059 tors. eta vs tors. theta energy: -53.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -609.387586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.387586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.387586 (E_RNA) where: Base-Base interactions energy: -373.334 where: short stacking energy: -175.892 Base-Backbone interact. energy: -1.807 local terms energy: -234.247131 where: bonds (distance) C4'-P energy: -45.227 bonds (distance) P-C4' energy: -51.100 flat angles C4'-P-C4' energy: -54.000 flat angles P-C4'-P energy: -40.112 tors. eta vs tors. theta energy: -43.808 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: 9, replica: 5 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -457.595050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.595050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.595050 (E_RNA) where: Base-Base interactions energy: -256.808 where: short stacking energy: -135.032 Base-Backbone interact. energy: 1.069 local terms energy: -201.856089 where: bonds (distance) C4'-P energy: -54.356 bonds (distance) P-C4' energy: -43.439 flat angles C4'-P-C4' energy: -42.531 flat angles P-C4'-P energy: -35.403 tors. eta vs tors. theta energy: -26.127 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: 6 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -348.840185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.840185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.840185 (E_RNA) where: Base-Base interactions energy: -152.016 where: short stacking energy: -76.359 Base-Backbone interact. energy: 2.413 local terms energy: -199.237134 where: bonds (distance) C4'-P energy: -52.719 bonds (distance) P-C4' energy: -60.058 flat angles C4'-P-C4' energy: -50.404 flat angles P-C4'-P energy: -31.110 tors. eta vs tors. theta energy: -4.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -1156.421077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.421077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.421077 (E_RNA) where: Base-Base interactions energy: -809.079 where: short stacking energy: -357.162 Base-Backbone interact. energy: -0.445 local terms energy: -346.897144 where: bonds (distance) C4'-P energy: -58.053 bonds (distance) P-C4' energy: -55.520 flat angles C4'-P-C4' energy: -70.584 flat angles P-C4'-P energy: -56.336 tors. eta vs tors. theta energy: -106.404 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: 8 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -1113.840080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.840080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.840080 (E_RNA) where: Base-Base interactions energy: -766.399 where: short stacking energy: -321.394 Base-Backbone interact. energy: -1.366 local terms energy: -346.075716 where: bonds (distance) C4'-P energy: -66.434 bonds (distance) P-C4' energy: -66.610 flat angles C4'-P-C4' energy: -75.069 flat angles P-C4'-P energy: -39.312 tors. eta vs tors. theta energy: -98.650 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: 1 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -1011.064449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.064449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.064449 (E_RNA) where: Base-Base interactions energy: -684.777 where: short stacking energy: -297.583 Base-Backbone interact. energy: -0.266 local terms energy: -326.021484 where: bonds (distance) C4'-P energy: -61.922 bonds (distance) P-C4' energy: -63.336 flat angles C4'-P-C4' energy: -73.963 flat angles P-C4'-P energy: -37.909 tors. eta vs tors. theta energy: -88.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -1006.436217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.436217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.436217 (E_RNA) where: Base-Base interactions energy: -700.646 where: short stacking energy: -306.971 Base-Backbone interact. energy: -1.059 local terms energy: -304.730326 where: bonds (distance) C4'-P energy: -55.512 bonds (distance) P-C4' energy: -57.252 flat angles C4'-P-C4' energy: -67.670 flat angles P-C4'-P energy: -37.758 tors. eta vs tors. theta energy: -86.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -914.626835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.626835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.626835 (E_RNA) where: Base-Base interactions energy: -612.315 where: short stacking energy: -264.509 Base-Backbone interact. energy: 0.290 local terms energy: -302.602400 where: bonds (distance) C4'-P energy: -66.795 bonds (distance) P-C4' energy: -61.482 flat angles C4'-P-C4' energy: -61.388 flat angles P-C4'-P energy: -37.723 tors. eta vs tors. theta energy: -75.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -856.331802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.331802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.331802 (E_RNA) where: Base-Base interactions energy: -571.870 where: short stacking energy: -265.304 Base-Backbone interact. energy: -0.365 local terms energy: -284.096510 where: bonds (distance) C4'-P energy: -47.636 bonds (distance) P-C4' energy: -52.879 flat angles C4'-P-C4' energy: -59.012 flat angles P-C4'-P energy: -50.773 tors. eta vs tors. theta energy: -73.797 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: 7, replica: 10 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -768.486290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.486290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.486290 (E_RNA) where: Base-Base interactions energy: -476.317 where: short stacking energy: -218.737 Base-Backbone interact. energy: -1.004 local terms energy: -291.165215 where: bonds (distance) C4'-P energy: -55.492 bonds (distance) P-C4' energy: -55.252 flat angles C4'-P-C4' energy: -72.212 flat angles P-C4'-P energy: -43.254 tors. eta vs tors. theta energy: -64.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -591.126635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.126635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.126635 (E_RNA) where: Base-Base interactions energy: -373.763 where: short stacking energy: -165.895 Base-Backbone interact. energy: 3.963 local terms energy: -221.326475 where: bonds (distance) C4'-P energy: -44.730 bonds (distance) P-C4' energy: -61.690 flat angles C4'-P-C4' energy: -53.532 flat angles P-C4'-P energy: -29.936 tors. eta vs tors. theta energy: -31.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -495.279172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.279172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.279172 (E_RNA) where: Base-Base interactions energy: -289.823 where: short stacking energy: -151.830 Base-Backbone interact. energy: -1.403 local terms energy: -204.053082 where: bonds (distance) C4'-P energy: -48.214 bonds (distance) P-C4' energy: -48.527 flat angles C4'-P-C4' energy: -59.370 flat angles P-C4'-P energy: -28.803 tors. eta vs tors. theta energy: -19.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -322.012007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.012007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.012007 (E_RNA) where: Base-Base interactions energy: -133.546 where: short stacking energy: -70.414 Base-Backbone interact. energy: -2.332 local terms energy: -186.133903 where: bonds (distance) C4'-P energy: -59.687 bonds (distance) P-C4' energy: -46.787 flat angles C4'-P-C4' energy: -52.812 flat angles P-C4'-P energy: -35.397 tors. eta vs tors. theta energy: 8.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -1177.786607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.786607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.786607 (E_RNA) where: Base-Base interactions energy: -804.547 where: short stacking energy: -361.441 Base-Backbone interact. energy: -0.281 local terms energy: -372.958116 where: bonds (distance) C4'-P energy: -54.229 bonds (distance) P-C4' energy: -69.773 flat angles C4'-P-C4' energy: -75.737 flat angles P-C4'-P energy: -54.450 tors. eta vs tors. theta energy: -118.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -1113.451723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.451723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.451723 (E_RNA) where: Base-Base interactions energy: -768.527 where: short stacking energy: -313.834 Base-Backbone interact. energy: -0.900 local terms energy: -344.024274 where: bonds (distance) C4'-P energy: -61.152 bonds (distance) P-C4' energy: -71.456 flat angles C4'-P-C4' energy: -75.280 flat angles P-C4'-P energy: -41.588 tors. eta vs tors. theta energy: -94.548 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: 1 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -1015.963562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.963562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.963562 (E_RNA) where: Base-Base interactions energy: -704.098 where: short stacking energy: -314.682 Base-Backbone interact. energy: -1.991 local terms energy: -309.874833 where: bonds (distance) C4'-P energy: -50.266 bonds (distance) P-C4' energy: -65.468 flat angles C4'-P-C4' energy: -62.014 flat angles P-C4'-P energy: -39.536 tors. eta vs tors. theta energy: -92.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -1035.698195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.698195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.698195 (E_RNA) where: Base-Base interactions energy: -701.828 where: short stacking energy: -307.570 Base-Backbone interact. energy: -2.432 local terms energy: -331.438626 where: bonds (distance) C4'-P energy: -64.640 bonds (distance) P-C4' energy: -55.107 flat angles C4'-P-C4' energy: -68.782 flat angles P-C4'-P energy: -47.126 tors. eta vs tors. theta energy: -95.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -888.697587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.697587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.697587 (E_RNA) where: Base-Base interactions energy: -590.874 where: short stacking energy: -276.268 Base-Backbone interact. energy: -0.575 local terms energy: -297.248839 where: bonds (distance) C4'-P energy: -56.423 bonds (distance) P-C4' energy: -60.057 flat angles C4'-P-C4' energy: -63.700 flat angles P-C4'-P energy: -41.253 tors. eta vs tors. theta energy: -75.815 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: 4 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -813.250768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.250768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.250768 (E_RNA) where: Base-Base interactions energy: -531.316 where: short stacking energy: -247.765 Base-Backbone interact. energy: 0.747 local terms energy: -282.681455 where: bonds (distance) C4'-P energy: -54.484 bonds (distance) P-C4' energy: -59.984 flat angles C4'-P-C4' energy: -61.146 flat angles P-C4'-P energy: -41.890 tors. eta vs tors. theta energy: -65.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -778.545299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.545299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.545299 (E_RNA) where: Base-Base interactions energy: -526.849 where: short stacking energy: -226.406 Base-Backbone interact. energy: -2.140 local terms energy: -249.556646 where: bonds (distance) C4'-P energy: -50.649 bonds (distance) P-C4' energy: -46.188 flat angles C4'-P-C4' energy: -61.374 flat angles P-C4'-P energy: -37.289 tors. eta vs tors. theta energy: -54.056 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: 9 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -599.355434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.355434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.355434 (E_RNA) where: Base-Base interactions energy: -359.951 where: short stacking energy: -167.022 Base-Backbone interact. energy: 0.192 local terms energy: -239.596429 where: bonds (distance) C4'-P energy: -52.994 bonds (distance) P-C4' energy: -60.646 flat angles C4'-P-C4' energy: -50.617 flat angles P-C4'-P energy: -40.280 tors. eta vs tors. theta energy: -35.059 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: 5 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -477.356716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.356716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.356716 (E_RNA) where: Base-Base interactions energy: -256.616 where: short stacking energy: -137.117 Base-Backbone interact. energy: -0.438 local terms energy: -220.302921 where: bonds (distance) C4'-P energy: -64.997 bonds (distance) P-C4' energy: -55.783 flat angles C4'-P-C4' energy: -52.101 flat angles P-C4'-P energy: -26.346 tors. eta vs tors. theta energy: -21.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -361.811011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.811011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.811011 (E_RNA) where: Base-Base interactions energy: -192.084 where: short stacking energy: -107.519 Base-Backbone interact. energy: 2.221 local terms energy: -171.948434 where: bonds (distance) C4'-P energy: -44.644 bonds (distance) P-C4' energy: -45.317 flat angles C4'-P-C4' energy: -41.341 flat angles P-C4'-P energy: -31.700 tors. eta vs tors. theta energy: -8.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -1193.563116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.563116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.563116 (E_RNA) where: Base-Base interactions energy: -829.895 where: short stacking energy: -369.883 Base-Backbone interact. energy: -0.220 local terms energy: -363.447786 where: bonds (distance) C4'-P energy: -60.013 bonds (distance) P-C4' energy: -62.586 flat angles C4'-P-C4' energy: -73.434 flat angles P-C4'-P energy: -56.205 tors. eta vs tors. theta energy: -111.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -1121.795907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.795907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.795907 (E_RNA) where: Base-Base interactions energy: -792.791 where: short stacking energy: -325.684 Base-Backbone interact. energy: -0.257 local terms energy: -328.747679 where: bonds (distance) C4'-P energy: -65.374 bonds (distance) P-C4' energy: -60.122 flat angles C4'-P-C4' energy: -71.238 flat angles P-C4'-P energy: -37.774 tors. eta vs tors. theta energy: -94.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -1023.486831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.486831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.486831 (E_RNA) where: Base-Base interactions energy: -701.464 where: short stacking energy: -316.646 Base-Backbone interact. energy: -1.936 local terms energy: -320.086941 where: bonds (distance) C4'-P energy: -49.887 bonds (distance) P-C4' energy: -51.947 flat angles C4'-P-C4' energy: -70.053 flat angles P-C4'-P energy: -52.574 tors. eta vs tors. theta energy: -95.625 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: 477 Temperature: 1.050000 Total energy: -1037.806159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.806159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.806159 (E_RNA) where: Base-Base interactions energy: -688.375 where: short stacking energy: -307.313 Base-Backbone interact. energy: 1.393 local terms energy: -350.824210 where: bonds (distance) C4'-P energy: -59.838 bonds (distance) P-C4' energy: -68.533 flat angles C4'-P-C4' energy: -75.019 flat angles P-C4'-P energy: -51.139 tors. eta vs tors. theta energy: -96.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -913.804536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.804536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.804536 (E_RNA) where: Base-Base interactions energy: -621.597 where: short stacking energy: -265.801 Base-Backbone interact. energy: -1.143 local terms energy: -291.064256 where: bonds (distance) C4'-P energy: -61.367 bonds (distance) P-C4' energy: -50.483 flat angles C4'-P-C4' energy: -64.132 flat angles P-C4'-P energy: -36.305 tors. eta vs tors. theta energy: -78.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -898.740101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.740101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.740101 (E_RNA) where: Base-Base interactions energy: -622.852 where: short stacking energy: -281.399 Base-Backbone interact. energy: -2.459 local terms energy: -273.429024 where: bonds (distance) C4'-P energy: -48.349 bonds (distance) P-C4' energy: -58.636 flat angles C4'-P-C4' energy: -58.018 flat angles P-C4'-P energy: -34.834 tors. eta vs tors. theta energy: -73.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -831.674290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.674290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.674290 (E_RNA) where: Base-Base interactions energy: -572.146 where: short stacking energy: -256.895 Base-Backbone interact. energy: -0.909 local terms energy: -258.619696 where: bonds (distance) C4'-P energy: -42.064 bonds (distance) P-C4' energy: -60.369 flat angles C4'-P-C4' energy: -62.737 flat angles P-C4'-P energy: -34.640 tors. eta vs tors. theta energy: -58.809 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: 9 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -660.084856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.084856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.084856 (E_RNA) where: Base-Base interactions energy: -399.079 where: short stacking energy: -192.424 Base-Backbone interact. energy: -1.580 local terms energy: -259.426739 where: bonds (distance) C4'-P energy: -53.987 bonds (distance) P-C4' energy: -63.470 flat angles C4'-P-C4' energy: -59.911 flat angles P-C4'-P energy: -36.141 tors. eta vs tors. theta energy: -45.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -491.469829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.469829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.469829 (E_RNA) where: Base-Base interactions energy: -278.704 where: short stacking energy: -155.594 Base-Backbone interact. energy: -1.159 local terms energy: -211.606741 where: bonds (distance) C4'-P energy: -43.745 bonds (distance) P-C4' energy: -53.820 flat angles C4'-P-C4' energy: -51.122 flat angles P-C4'-P energy: -34.976 tors. eta vs tors. theta energy: -27.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -385.544458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.544458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.544458 (E_RNA) where: Base-Base interactions energy: -198.136 where: short stacking energy: -107.225 Base-Backbone interact. energy: 3.350 local terms energy: -190.758823 where: bonds (distance) C4'-P energy: -58.107 bonds (distance) P-C4' energy: -54.170 flat angles C4'-P-C4' energy: -51.489 flat angles P-C4'-P energy: -31.486 tors. eta vs tors. theta energy: 4.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -1180.675298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.675298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.675298 (E_RNA) where: Base-Base interactions energy: -821.014 where: short stacking energy: -359.246 Base-Backbone interact. energy: -0.060 local terms energy: -359.601691 where: bonds (distance) C4'-P energy: -63.511 bonds (distance) P-C4' energy: -61.215 flat angles C4'-P-C4' energy: -77.421 flat angles P-C4'-P energy: -50.791 tors. eta vs tors. theta energy: -106.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -1135.514490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.514490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.514490 (E_RNA) where: Base-Base interactions energy: -790.151 where: short stacking energy: -321.181 Base-Backbone interact. energy: -0.081 local terms energy: -345.282732 where: bonds (distance) C4'-P energy: -59.748 bonds (distance) P-C4' energy: -61.150 flat angles C4'-P-C4' energy: -74.437 flat angles P-C4'-P energy: -51.624 tors. eta vs tors. theta energy: -98.323 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: 3 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -1045.006459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.006459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.006459 (E_RNA) where: Base-Base interactions energy: -719.657 where: short stacking energy: -308.633 Base-Backbone interact. energy: -1.832 local terms energy: -323.516597 where: bonds (distance) C4'-P energy: -55.853 bonds (distance) P-C4' energy: -54.869 flat angles C4'-P-C4' energy: -71.592 flat angles P-C4'-P energy: -46.557 tors. eta vs tors. theta energy: -94.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -1001.290838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.290838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.290838 (E_RNA) where: Base-Base interactions energy: -684.564 where: short stacking energy: -302.340 Base-Backbone interact. energy: -1.338 local terms energy: -315.389470 where: bonds (distance) C4'-P energy: -54.322 bonds (distance) P-C4' energy: -63.567 flat angles C4'-P-C4' energy: -68.135 flat angles P-C4'-P energy: -38.867 tors. eta vs tors. theta energy: -90.498 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: 4 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -930.020832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.020832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.020832 (E_RNA) where: Base-Base interactions energy: -617.609 where: short stacking energy: -264.161 Base-Backbone interact. energy: -1.621 local terms energy: -310.790868 where: bonds (distance) C4'-P energy: -62.659 bonds (distance) P-C4' energy: -61.698 flat angles C4'-P-C4' energy: -66.233 flat angles P-C4'-P energy: -50.100 tors. eta vs tors. theta energy: -70.100 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: 6, replica: 7 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -919.637094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.637094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.637094 (E_RNA) where: Base-Base interactions energy: -624.339 where: short stacking energy: -260.135 Base-Backbone interact. energy: -2.767 local terms energy: -292.531490 where: bonds (distance) C4'-P energy: -60.932 bonds (distance) P-C4' energy: -57.386 flat angles C4'-P-C4' energy: -57.061 flat angles P-C4'-P energy: -44.556 tors. eta vs tors. theta energy: -72.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -822.554566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.554566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.554566 (E_RNA) where: Base-Base interactions energy: -531.229 where: short stacking energy: -218.024 Base-Backbone interact. energy: -1.868 local terms energy: -289.457470 where: bonds (distance) C4'-P energy: -63.970 bonds (distance) P-C4' energy: -56.102 flat angles C4'-P-C4' energy: -54.174 flat angles P-C4'-P energy: -41.187 tors. eta vs tors. theta energy: -74.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -624.752558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.752558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.752558 (E_RNA) where: Base-Base interactions energy: -414.440 where: short stacking energy: -168.293 Base-Backbone interact. energy: -0.220 local terms energy: -210.092222 where: bonds (distance) C4'-P energy: -45.863 bonds (distance) P-C4' energy: -49.076 flat angles C4'-P-C4' energy: -49.170 flat angles P-C4'-P energy: -31.568 tors. eta vs tors. theta energy: -34.415 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: 9, replica: 5 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -467.299139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.299139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.299139 (E_RNA) where: Base-Base interactions energy: -277.789 where: short stacking energy: -138.643 Base-Backbone interact. energy: 1.540 local terms energy: -191.050503 where: bonds (distance) C4'-P energy: -51.193 bonds (distance) P-C4' energy: -58.233 flat angles C4'-P-C4' energy: -37.935 flat angles P-C4'-P energy: -28.733 tors. eta vs tors. theta energy: -14.956 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: 10, replica: 6 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -376.478254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.478254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.478254 (E_RNA) where: Base-Base interactions energy: -169.171 where: short stacking energy: -89.851 Base-Backbone interact. energy: 2.358 local terms energy: -209.664755 where: bonds (distance) C4'-P energy: -59.220 bonds (distance) P-C4' energy: -63.090 flat angles C4'-P-C4' energy: -59.806 flat angles P-C4'-P energy: -37.686 tors. eta vs tors. theta energy: 10.137 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: 2 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -1175.743412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.743412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.743412 (E_RNA) where: Base-Base interactions energy: -814.051 where: short stacking energy: -367.622 Base-Backbone interact. energy: -0.993 local terms energy: -360.699743 where: bonds (distance) C4'-P energy: -66.251 bonds (distance) P-C4' energy: -62.758 flat angles C4'-P-C4' energy: -74.065 flat angles P-C4'-P energy: -45.323 tors. eta vs tors. theta energy: -112.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -1125.080049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.080049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.080049 (E_RNA) where: Base-Base interactions energy: -772.053 where: short stacking energy: -319.289 Base-Backbone interact. energy: -1.913 local terms energy: -351.114276 where: bonds (distance) C4'-P energy: -59.745 bonds (distance) P-C4' energy: -67.476 flat angles C4'-P-C4' energy: -75.771 flat angles P-C4'-P energy: -46.042 tors. eta vs tors. theta energy: -102.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -1037.903289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.903289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.903289 (E_RNA) where: Base-Base interactions energy: -711.277 where: short stacking energy: -306.630 Base-Backbone interact. energy: -1.014 local terms energy: -325.612338 where: bonds (distance) C4'-P energy: -62.154 bonds (distance) P-C4' energy: -56.351 flat angles C4'-P-C4' energy: -66.645 flat angles P-C4'-P energy: -39.311 tors. eta vs tors. theta energy: -101.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -1014.022108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.022108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.022108 (E_RNA) where: Base-Base interactions energy: -696.454 where: short stacking energy: -301.915 Base-Backbone interact. energy: -0.409 local terms energy: -317.159554 where: bonds (distance) C4'-P energy: -62.339 bonds (distance) P-C4' energy: -56.420 flat angles C4'-P-C4' energy: -73.083 flat angles P-C4'-P energy: -33.580 tors. eta vs tors. theta energy: -91.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -936.118875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.118875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.118875 (E_RNA) where: Base-Base interactions energy: -637.043 where: short stacking energy: -282.781 Base-Backbone interact. energy: 1.917 local terms energy: -300.992548 where: bonds (distance) C4'-P energy: -51.252 bonds (distance) P-C4' energy: -54.353 flat angles C4'-P-C4' energy: -66.281 flat angles P-C4'-P energy: -51.095 tors. eta vs tors. theta energy: -78.011 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: 479 Temperature: 1.150000 Total energy: -900.786162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.786162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.786162 (E_RNA) where: Base-Base interactions energy: -608.054 where: short stacking energy: -265.224 Base-Backbone interact. energy: -1.784 local terms energy: -290.948213 where: bonds (distance) C4'-P energy: -57.533 bonds (distance) P-C4' energy: -58.297 flat angles C4'-P-C4' energy: -62.363 flat angles P-C4'-P energy: -37.927 tors. eta vs tors. theta energy: -74.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -795.713986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.713986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.713986 (E_RNA) where: Base-Base interactions energy: -524.534 where: short stacking energy: -228.206 Base-Backbone interact. energy: -1.614 local terms energy: -269.565844 where: bonds (distance) C4'-P energy: -53.679 bonds (distance) P-C4' energy: -54.102 flat angles C4'-P-C4' energy: -64.069 flat angles P-C4'-P energy: -43.160 tors. eta vs tors. theta energy: -54.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -629.904896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.904896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.904896 (E_RNA) where: Base-Base interactions energy: -368.067 where: short stacking energy: -191.841 Base-Backbone interact. energy: -0.967 local terms energy: -260.870767 where: bonds (distance) C4'-P energy: -58.133 bonds (distance) P-C4' energy: -62.601 flat angles C4'-P-C4' energy: -49.226 flat angles P-C4'-P energy: -38.754 tors. eta vs tors. theta energy: -52.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -435.978709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.978709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.978709 (E_RNA) where: Base-Base interactions energy: -235.717 where: short stacking energy: -116.968 Base-Backbone interact. energy: -0.813 local terms energy: -199.448297 where: bonds (distance) C4'-P energy: -52.773 bonds (distance) P-C4' energy: -50.621 flat angles C4'-P-C4' energy: -51.880 flat angles P-C4'-P energy: -30.394 tors. eta vs tors. theta energy: -13.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -357.468920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.468920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.468920 (E_RNA) where: Base-Base interactions energy: -176.431 where: short stacking energy: -87.608 Base-Backbone interact. energy: 0.154 local terms energy: -181.192185 where: bonds (distance) C4'-P energy: -47.094 bonds (distance) P-C4' energy: -54.702 flat angles C4'-P-C4' energy: -50.002 flat angles P-C4'-P energy: -31.205 tors. eta vs tors. theta energy: 1.810 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: 2 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -1183.817793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.817793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.817793 (E_RNA) where: Base-Base interactions energy: -817.587 where: short stacking energy: -353.457 Base-Backbone interact. energy: -0.016 local terms energy: -366.215123 where: bonds (distance) C4'-P energy: -65.952 bonds (distance) P-C4' energy: -60.493 flat angles C4'-P-C4' energy: -73.007 flat angles P-C4'-P energy: -51.480 tors. eta vs tors. theta energy: -115.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -1114.255469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.255469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.255469 (E_RNA) where: Base-Base interactions energy: -777.959 where: short stacking energy: -324.942 Base-Backbone interact. energy: 0.544 local terms energy: -336.840812 where: bonds (distance) C4'-P energy: -62.759 bonds (distance) P-C4' energy: -61.817 flat angles C4'-P-C4' energy: -68.568 flat angles P-C4'-P energy: -48.107 tors. eta vs tors. theta energy: -95.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -1049.813410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.813410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.813410 (E_RNA) where: Base-Base interactions energy: -720.659 where: short stacking energy: -294.939 Base-Backbone interact. energy: -1.030 local terms energy: -328.124229 where: bonds (distance) C4'-P energy: -54.608 bonds (distance) P-C4' energy: -69.666 flat angles C4'-P-C4' energy: -65.296 flat angles P-C4'-P energy: -53.109 tors. eta vs tors. theta energy: -85.446 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: 4, replica: 1 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -990.747030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.747030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.747030 (E_RNA) where: Base-Base interactions energy: -672.359 where: short stacking energy: -279.615 Base-Backbone interact. energy: -0.614 local terms energy: -317.774135 where: bonds (distance) C4'-P energy: -61.990 bonds (distance) P-C4' energy: -57.152 flat angles C4'-P-C4' energy: -64.220 flat angles P-C4'-P energy: -45.657 tors. eta vs tors. theta energy: -88.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -898.435754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.435754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.435754 (E_RNA) where: Base-Base interactions energy: -617.619 where: short stacking energy: -266.544 Base-Backbone interact. energy: -1.173 local terms energy: -279.643697 where: bonds (distance) C4'-P energy: -51.315 bonds (distance) P-C4' energy: -47.952 flat angles C4'-P-C4' energy: -76.516 flat angles P-C4'-P energy: -35.330 tors. eta vs tors. theta energy: -68.531 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: 4 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -915.769695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.769695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.769695 (E_RNA) where: Base-Base interactions energy: -618.489 where: short stacking energy: -277.566 Base-Backbone interact. energy: -1.336 local terms energy: -295.945386 where: bonds (distance) C4'-P energy: -46.898 bonds (distance) P-C4' energy: -67.731 flat angles C4'-P-C4' energy: -73.133 flat angles P-C4'-P energy: -39.445 tors. eta vs tors. theta energy: -68.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -761.610658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.610658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.610658 (E_RNA) where: Base-Base interactions energy: -499.049 where: short stacking energy: -221.095 Base-Backbone interact. energy: 1.215 local terms energy: -263.776868 where: bonds (distance) C4'-P energy: -53.457 bonds (distance) P-C4' energy: -57.326 flat angles C4'-P-C4' energy: -61.150 flat angles P-C4'-P energy: -34.434 tors. eta vs tors. theta energy: -57.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -566.592949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.592949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.592949 (E_RNA) where: Base-Base interactions energy: -346.486 where: short stacking energy: -168.122 Base-Backbone interact. energy: -1.947 local terms energy: -218.160375 where: bonds (distance) C4'-P energy: -44.007 bonds (distance) P-C4' energy: -49.338 flat angles C4'-P-C4' energy: -62.455 flat angles P-C4'-P energy: -35.897 tors. eta vs tors. theta energy: -26.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -462.687027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.687027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.687027 (E_RNA) where: Base-Base interactions energy: -263.206 where: short stacking energy: -135.911 Base-Backbone interact. energy: 3.475 local terms energy: -202.955526 where: bonds (distance) C4'-P energy: -51.049 bonds (distance) P-C4' energy: -51.188 flat angles C4'-P-C4' energy: -53.716 flat angles P-C4'-P energy: -23.684 tors. eta vs tors. theta energy: -23.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -362.257940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.257940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.257940 (E_RNA) where: Base-Base interactions energy: -180.253 where: short stacking energy: -94.346 Base-Backbone interact. energy: -1.833 local terms energy: -180.171964 where: bonds (distance) C4'-P energy: -58.008 bonds (distance) P-C4' energy: -48.873 flat angles C4'-P-C4' energy: -46.170 flat angles P-C4'-P energy: -26.928 tors. eta vs tors. theta energy: -0.193 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: 2 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -1191.629961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.629961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.629961 (E_RNA) where: Base-Base interactions energy: -821.610 where: short stacking energy: -364.785 Base-Backbone interact. energy: -0.057 local terms energy: -369.962609 where: bonds (distance) C4'-P energy: -58.820 bonds (distance) P-C4' energy: -64.903 flat angles C4'-P-C4' energy: -73.685 flat angles P-C4'-P energy: -56.021 tors. eta vs tors. theta energy: -116.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -1114.137068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.137068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.137068 (E_RNA) where: Base-Base interactions energy: -774.692 where: short stacking energy: -329.924 Base-Backbone interact. energy: -0.914 local terms energy: -338.531013 where: bonds (distance) C4'-P energy: -59.947 bonds (distance) P-C4' energy: -61.612 flat angles C4'-P-C4' energy: -79.823 flat angles P-C4'-P energy: -37.044 tors. eta vs tors. theta energy: -100.105 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: 3, replica: 3 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -1039.344249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.344249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.344249 (E_RNA) where: Base-Base interactions energy: -717.478 where: short stacking energy: -300.981 Base-Backbone interact. energy: -2.001 local terms energy: -319.865526 where: bonds (distance) C4'-P energy: -55.152 bonds (distance) P-C4' energy: -56.573 flat angles C4'-P-C4' energy: -72.390 flat angles P-C4'-P energy: -42.504 tors. eta vs tors. theta energy: -93.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -1016.525811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.525811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.525811 (E_RNA) where: Base-Base interactions energy: -704.182 where: short stacking energy: -301.818 Base-Backbone interact. energy: -0.686 local terms energy: -311.657734 where: bonds (distance) C4'-P energy: -55.839 bonds (distance) P-C4' energy: -54.568 flat angles C4'-P-C4' energy: -64.675 flat angles P-C4'-P energy: -45.856 tors. eta vs tors. theta energy: -90.720 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: 7 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -903.898377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.898377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.898377 (E_RNA) where: Base-Base interactions energy: -617.741 where: short stacking energy: -265.510 Base-Backbone interact. energy: -0.027 local terms energy: -286.130135 where: bonds (distance) C4'-P energy: -50.073 bonds (distance) P-C4' energy: -55.502 flat angles C4'-P-C4' energy: -61.720 flat angles P-C4'-P energy: -49.764 tors. eta vs tors. theta energy: -69.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -879.955772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.955772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.955772 (E_RNA) where: Base-Base interactions energy: -587.619 where: short stacking energy: -247.735 Base-Backbone interact. energy: -0.065 local terms energy: -292.271542 where: bonds (distance) C4'-P energy: -49.810 bonds (distance) P-C4' energy: -61.014 flat angles C4'-P-C4' energy: -66.835 flat angles P-C4'-P energy: -49.015 tors. eta vs tors. theta energy: -65.598 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: 10 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -776.762754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.762754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.762754 (E_RNA) where: Base-Base interactions energy: -521.379 where: short stacking energy: -224.084 Base-Backbone interact. energy: -3.629 local terms energy: -251.754050 where: bonds (distance) C4'-P energy: -48.075 bonds (distance) P-C4' energy: -54.258 flat angles C4'-P-C4' energy: -55.679 flat angles P-C4'-P energy: -36.633 tors. eta vs tors. theta energy: -57.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -603.661907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.661907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.661907 (E_RNA) where: Base-Base interactions energy: -368.470 where: short stacking energy: -179.409 Base-Backbone interact. energy: -1.686 local terms energy: -233.505327 where: bonds (distance) C4'-P energy: -35.858 bonds (distance) P-C4' energy: -62.198 flat angles C4'-P-C4' energy: -61.429 flat angles P-C4'-P energy: -40.609 tors. eta vs tors. theta energy: -33.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -451.376941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.376941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.376941 (E_RNA) where: Base-Base interactions energy: -240.558 where: short stacking energy: -129.534 Base-Backbone interact. energy: -1.886 local terms energy: -208.932945 where: bonds (distance) C4'-P energy: -46.748 bonds (distance) P-C4' energy: -51.867 flat angles C4'-P-C4' energy: -61.513 flat angles P-C4'-P energy: -32.845 tors. eta vs tors. theta energy: -15.959 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: 6 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -396.228488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.228488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.228488 (E_RNA) where: Base-Base interactions energy: -197.898 where: short stacking energy: -105.474 Base-Backbone interact. energy: -0.935 local terms energy: -197.395513 where: bonds (distance) C4'-P energy: -59.232 bonds (distance) P-C4' energy: -51.885 flat angles C4'-P-C4' energy: -48.342 flat angles P-C4'-P energy: -26.112 tors. eta vs tors. theta energy: -11.824 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: 2 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -1194.154569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.154569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.154569 (E_RNA) where: Base-Base interactions energy: -822.698 where: short stacking energy: -367.978 Base-Backbone interact. energy: -0.674 local terms energy: -370.782011 where: bonds (distance) C4'-P energy: -62.627 bonds (distance) P-C4' energy: -70.178 flat angles C4'-P-C4' energy: -70.961 flat angles P-C4'-P energy: -54.701 tors. eta vs tors. theta energy: -112.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -1116.800089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.800089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.800089 (E_RNA) where: Base-Base interactions energy: -767.184 where: short stacking energy: -330.681 Base-Backbone interact. energy: 0.733 local terms energy: -350.349526 where: bonds (distance) C4'-P energy: -55.913 bonds (distance) P-C4' energy: -62.022 flat angles C4'-P-C4' energy: -70.920 flat angles P-C4'-P energy: -56.726 tors. eta vs tors. theta energy: -104.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -1062.166093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.166093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.166093 (E_RNA) where: Base-Base interactions energy: -720.579 where: short stacking energy: -316.398 Base-Backbone interact. energy: -1.058 local terms energy: -340.529537 where: bonds (distance) C4'-P energy: -61.979 bonds (distance) P-C4' energy: -67.100 flat angles C4'-P-C4' energy: -67.486 flat angles P-C4'-P energy: -50.826 tors. eta vs tors. theta energy: -93.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -1005.179537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.179537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.179537 (E_RNA) where: Base-Base interactions energy: -673.121 where: short stacking energy: -301.730 Base-Backbone interact. energy: -1.029 local terms energy: -331.030189 where: bonds (distance) C4'-P energy: -69.542 bonds (distance) P-C4' energy: -61.565 flat angles C4'-P-C4' energy: -62.741 flat angles P-C4'-P energy: -42.824 tors. eta vs tors. theta energy: -94.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -912.884233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.884233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.884233 (E_RNA) where: Base-Base interactions energy: -634.762 where: short stacking energy: -282.540 Base-Backbone interact. energy: -1.005 local terms energy: -277.117646 where: bonds (distance) C4'-P energy: -56.177 bonds (distance) P-C4' energy: -56.346 flat angles C4'-P-C4' energy: -60.852 flat angles P-C4'-P energy: -35.158 tors. eta vs tors. theta energy: -68.584 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: 4 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -868.901854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.901854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.901854 (E_RNA) where: Base-Base interactions energy: -592.186 where: short stacking energy: -265.384 Base-Backbone interact. energy: -1.246 local terms energy: -275.469982 where: bonds (distance) C4'-P energy: -44.858 bonds (distance) P-C4' energy: -56.030 flat angles C4'-P-C4' energy: -64.353 flat angles P-C4'-P energy: -39.595 tors. eta vs tors. theta energy: -70.635 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: 482 Temperature: 1.200000 Total energy: -792.369261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.369261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.369261 (E_RNA) where: Base-Base interactions energy: -523.603 where: short stacking energy: -227.327 Base-Backbone interact. energy: -1.188 local terms energy: -267.577871 where: bonds (distance) C4'-P energy: -57.012 bonds (distance) P-C4' energy: -62.477 flat angles C4'-P-C4' energy: -59.607 flat angles P-C4'-P energy: -31.142 tors. eta vs tors. theta energy: -57.341 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: 9 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -604.926719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.926719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.926719 (E_RNA) where: Base-Base interactions energy: -379.932 where: short stacking energy: -174.027 Base-Backbone interact. energy: -1.780 local terms energy: -223.215246 where: bonds (distance) C4'-P energy: -54.969 bonds (distance) P-C4' energy: -62.086 flat angles C4'-P-C4' energy: -48.877 flat angles P-C4'-P energy: -23.095 tors. eta vs tors. theta energy: -34.189 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: 482 Temperature: 1.300000 Total energy: -478.098143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.098143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.098143 (E_RNA) where: Base-Base interactions energy: -278.565 where: short stacking energy: -145.606 Base-Backbone interact. energy: 1.606 local terms energy: -201.139030 where: bonds (distance) C4'-P energy: -53.283 bonds (distance) P-C4' energy: -48.065 flat angles C4'-P-C4' energy: -48.316 flat angles P-C4'-P energy: -29.800 tors. eta vs tors. theta energy: -21.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -376.027062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.027062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.027062 (E_RNA) where: Base-Base interactions energy: -187.204 where: short stacking energy: -103.660 Base-Backbone interact. energy: -0.181 local terms energy: -188.642865 where: bonds (distance) C4'-P energy: -52.576 bonds (distance) P-C4' energy: -55.769 flat angles C4'-P-C4' energy: -42.562 flat angles P-C4'-P energy: -27.715 tors. eta vs tors. theta energy: -10.021 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: 1, replica: 2 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -1195.314720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.314720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.314720 (E_RNA) where: Base-Base interactions energy: -817.499 where: short stacking energy: -353.556 Base-Backbone interact. energy: -0.087 local terms energy: -377.728731 where: bonds (distance) C4'-P energy: -60.125 bonds (distance) P-C4' energy: -73.064 flat angles C4'-P-C4' energy: -76.310 flat angles P-C4'-P energy: -54.828 tors. eta vs tors. theta energy: -113.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -1100.532593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.532593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.532593 (E_RNA) where: Base-Base interactions energy: -763.843 where: short stacking energy: -313.201 Base-Backbone interact. energy: 0.450 local terms energy: -337.139366 where: bonds (distance) C4'-P energy: -62.990 bonds (distance) P-C4' energy: -61.571 flat angles C4'-P-C4' energy: -75.053 flat angles P-C4'-P energy: -40.273 tors. eta vs tors. theta energy: -97.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -1027.012709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.012709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.012709 (E_RNA) where: Base-Base interactions energy: -689.411 where: short stacking energy: -294.502 Base-Backbone interact. energy: -0.797 local terms energy: -336.804517 where: bonds (distance) C4'-P energy: -61.262 bonds (distance) P-C4' energy: -63.624 flat angles C4'-P-C4' energy: -69.201 flat angles P-C4'-P energy: -49.656 tors. eta vs tors. theta energy: -93.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -980.048673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.048673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.048673 (E_RNA) where: Base-Base interactions energy: -672.742 where: short stacking energy: -295.773 Base-Backbone interact. energy: -1.121 local terms energy: -306.184994 where: bonds (distance) C4'-P energy: -56.479 bonds (distance) P-C4' energy: -52.714 flat angles C4'-P-C4' energy: -65.440 flat angles P-C4'-P energy: -52.944 tors. eta vs tors. theta energy: -78.607 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: 7 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -925.491342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.491342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.491342 (E_RNA) where: Base-Base interactions energy: -609.658 where: short stacking energy: -270.947 Base-Backbone interact. energy: -1.469 local terms energy: -314.363888 where: bonds (distance) C4'-P energy: -59.793 bonds (distance) P-C4' energy: -60.540 flat angles C4'-P-C4' energy: -67.291 flat angles P-C4'-P energy: -45.223 tors. eta vs tors. theta energy: -81.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -880.469784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.469784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.469784 (E_RNA) where: Base-Base interactions energy: -594.537 where: short stacking energy: -252.745 Base-Backbone interact. energy: -1.101 local terms energy: -284.831680 where: bonds (distance) C4'-P energy: -64.898 bonds (distance) P-C4' energy: -58.644 flat angles C4'-P-C4' energy: -53.836 flat angles P-C4'-P energy: -39.293 tors. eta vs tors. theta energy: -68.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -804.390233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.390233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.390233 (E_RNA) where: Base-Base interactions energy: -536.679 where: short stacking energy: -227.759 Base-Backbone interact. energy: -0.295 local terms energy: -267.416494 where: bonds (distance) C4'-P energy: -60.547 bonds (distance) P-C4' energy: -55.367 flat angles C4'-P-C4' energy: -43.655 flat angles P-C4'-P energy: -43.156 tors. eta vs tors. theta energy: -64.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -662.663898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.663898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.663898 (E_RNA) where: Base-Base interactions energy: -417.742 where: short stacking energy: -180.783 Base-Backbone interact. energy: 0.743 local terms energy: -245.665132 where: bonds (distance) C4'-P energy: -47.852 bonds (distance) P-C4' energy: -51.419 flat angles C4'-P-C4' energy: -56.341 flat angles P-C4'-P energy: -45.203 tors. eta vs tors. theta energy: -44.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -488.758763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.758763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.758763 (E_RNA) where: Base-Base interactions energy: -273.945 where: short stacking energy: -147.878 Base-Backbone interact. energy: -2.147 local terms energy: -212.666309 where: bonds (distance) C4'-P energy: -55.426 bonds (distance) P-C4' energy: -57.516 flat angles C4'-P-C4' energy: -41.533 flat angles P-C4'-P energy: -37.005 tors. eta vs tors. theta energy: -21.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -371.508865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.508865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.508865 (E_RNA) where: Base-Base interactions energy: -201.082 where: short stacking energy: -115.957 Base-Backbone interact. energy: -0.334 local terms energy: -170.092771 where: bonds (distance) C4'-P energy: -57.597 bonds (distance) P-C4' energy: -44.604 flat angles C4'-P-C4' energy: -33.769 flat angles P-C4'-P energy: -25.464 tors. eta vs tors. theta energy: -8.658 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: 1, replica: 2 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -1190.749672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.749672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.749672 (E_RNA) where: Base-Base interactions energy: -827.893 where: short stacking energy: -361.386 Base-Backbone interact. energy: -0.073 local terms energy: -362.784380 where: bonds (distance) C4'-P energy: -62.044 bonds (distance) P-C4' energy: -68.625 flat angles C4'-P-C4' energy: -74.157 flat angles P-C4'-P energy: -47.427 tors. eta vs tors. theta energy: -110.531 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: 8 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -1119.740404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.740404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.740404 (E_RNA) where: Base-Base interactions energy: -781.555 where: short stacking energy: -317.365 Base-Backbone interact. energy: -2.089 local terms energy: -336.095675 where: bonds (distance) C4'-P energy: -62.251 bonds (distance) P-C4' energy: -61.613 flat angles C4'-P-C4' energy: -72.829 flat angles P-C4'-P energy: -43.575 tors. eta vs tors. theta energy: -95.828 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: 3 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -1048.548199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.548199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.548199 (E_RNA) where: Base-Base interactions energy: -730.713 where: short stacking energy: -319.783 Base-Backbone interact. energy: -0.580 local terms energy: -317.254967 where: bonds (distance) C4'-P energy: -66.001 bonds (distance) P-C4' energy: -59.635 flat angles C4'-P-C4' energy: -54.783 flat angles P-C4'-P energy: -49.786 tors. eta vs tors. theta energy: -87.050 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: 484 Temperature: 1.050000 Total energy: -969.631875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.631875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.631875 (E_RNA) where: Base-Base interactions energy: -653.767 where: short stacking energy: -292.668 Base-Backbone interact. energy: -0.097 local terms energy: -315.767314 where: bonds (distance) C4'-P energy: -61.387 bonds (distance) P-C4' energy: -58.603 flat angles C4'-P-C4' energy: -63.594 flat angles P-C4'-P energy: -44.829 tors. eta vs tors. theta energy: -87.354 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: 484 Temperature: 1.100000 Total energy: -895.989655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.989655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.989655 (E_RNA) where: Base-Base interactions energy: -596.906 where: short stacking energy: -258.695 Base-Backbone interact. energy: -1.265 local terms energy: -297.818178 where: bonds (distance) C4'-P energy: -57.678 bonds (distance) P-C4' energy: -61.722 flat angles C4'-P-C4' energy: -63.509 flat angles P-C4'-P energy: -44.384 tors. eta vs tors. theta energy: -70.525 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: 7 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -917.301805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.301805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.301805 (E_RNA) where: Base-Base interactions energy: -638.756 where: short stacking energy: -256.890 Base-Backbone interact. energy: 0.134 local terms energy: -278.680057 where: bonds (distance) C4'-P energy: -56.065 bonds (distance) P-C4' energy: -61.708 flat angles C4'-P-C4' energy: -51.754 flat angles P-C4'-P energy: -41.276 tors. eta vs tors. theta energy: -67.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -810.877979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.877979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.877979 (E_RNA) where: Base-Base interactions energy: -551.313 where: short stacking energy: -215.981 Base-Backbone interact. energy: -1.526 local terms energy: -258.039225 where: bonds (distance) C4'-P energy: -49.297 bonds (distance) P-C4' energy: -58.252 flat angles C4'-P-C4' energy: -59.553 flat angles P-C4'-P energy: -30.360 tors. eta vs tors. theta energy: -60.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -694.227535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.227535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.227535 (E_RNA) where: Base-Base interactions energy: -449.181 where: short stacking energy: -206.304 Base-Backbone interact. energy: 0.909 local terms energy: -245.955311 where: bonds (distance) C4'-P energy: -54.356 bonds (distance) P-C4' energy: -54.098 flat angles C4'-P-C4' energy: -52.070 flat angles P-C4'-P energy: -39.913 tors. eta vs tors. theta energy: -45.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -454.126820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.126820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.126820 (E_RNA) where: Base-Base interactions energy: -233.881 where: short stacking energy: -126.459 Base-Backbone interact. energy: 1.381 local terms energy: -221.626358 where: bonds (distance) C4'-P energy: -55.921 bonds (distance) P-C4' energy: -55.885 flat angles C4'-P-C4' energy: -52.261 flat angles P-C4'-P energy: -30.709 tors. eta vs tors. theta energy: -26.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -416.009945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.009945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.009945 (E_RNA) where: Base-Base interactions energy: -236.509 where: short stacking energy: -117.841 Base-Backbone interact. energy: 0.271 local terms energy: -179.772273 where: bonds (distance) C4'-P energy: -43.879 bonds (distance) P-C4' energy: -55.311 flat angles C4'-P-C4' energy: -47.820 flat angles P-C4'-P energy: -31.285 tors. eta vs tors. theta energy: -1.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -1183.524777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.524777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.524777 (E_RNA) where: Base-Base interactions energy: -811.516 where: short stacking energy: -369.984 Base-Backbone interact. energy: -0.709 local terms energy: -371.299888 where: bonds (distance) C4'-P energy: -68.702 bonds (distance) P-C4' energy: -57.402 flat angles C4'-P-C4' energy: -75.785 flat angles P-C4'-P energy: -54.766 tors. eta vs tors. theta energy: -114.645 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: 8 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -1096.850314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.850314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.850314 (E_RNA) where: Base-Base interactions energy: -769.767 where: short stacking energy: -302.704 Base-Backbone interact. energy: -1.938 local terms energy: -325.145630 where: bonds (distance) C4'-P energy: -61.531 bonds (distance) P-C4' energy: -58.363 flat angles C4'-P-C4' energy: -69.464 flat angles P-C4'-P energy: -41.076 tors. eta vs tors. theta energy: -94.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -1066.976812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.976812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.976812 (E_RNA) where: Base-Base interactions energy: -747.082 where: short stacking energy: -338.023 Base-Backbone interact. energy: -0.633 local terms energy: -319.262304 where: bonds (distance) C4'-P energy: -60.671 bonds (distance) P-C4' energy: -56.054 flat angles C4'-P-C4' energy: -62.948 flat angles P-C4'-P energy: -41.076 tors. eta vs tors. theta energy: -98.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -963.138303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.138303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.138303 (E_RNA) where: Base-Base interactions energy: -636.064 where: short stacking energy: -263.827 Base-Backbone interact. energy: 0.189 local terms energy: -327.263656 where: bonds (distance) C4'-P energy: -70.991 bonds (distance) P-C4' energy: -67.856 flat angles C4'-P-C4' energy: -65.126 flat angles P-C4'-P energy: -44.836 tors. eta vs tors. theta energy: -78.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -961.831781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.831781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.831781 (E_RNA) where: Base-Base interactions energy: -642.293 where: short stacking energy: -281.401 Base-Backbone interact. energy: -0.039 local terms energy: -319.500251 where: bonds (distance) C4'-P energy: -55.659 bonds (distance) P-C4' energy: -63.656 flat angles C4'-P-C4' energy: -68.878 flat angles P-C4'-P energy: -44.977 tors. eta vs tors. theta energy: -86.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -931.738091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.738091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.738091 (E_RNA) where: Base-Base interactions energy: -651.480 where: short stacking energy: -290.340 Base-Backbone interact. energy: -1.677 local terms energy: -278.581187 where: bonds (distance) C4'-P energy: -42.024 bonds (distance) P-C4' energy: -54.151 flat angles C4'-P-C4' energy: -62.950 flat angles P-C4'-P energy: -37.677 tors. eta vs tors. theta energy: -81.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -822.258827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.258827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.258827 (E_RNA) where: Base-Base interactions energy: -543.604 where: short stacking energy: -242.491 Base-Backbone interact. energy: -1.845 local terms energy: -276.809449 where: bonds (distance) C4'-P energy: -62.069 bonds (distance) P-C4' energy: -47.823 flat angles C4'-P-C4' energy: -69.184 flat angles P-C4'-P energy: -36.046 tors. eta vs tors. theta energy: -61.687 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: 9 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -649.220294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.220294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.220294 (E_RNA) where: Base-Base interactions energy: -414.868 where: short stacking energy: -178.747 Base-Backbone interact. energy: 0.162 local terms energy: -234.514101 where: bonds (distance) C4'-P energy: -49.677 bonds (distance) P-C4' energy: -58.915 flat angles C4'-P-C4' energy: -50.094 flat angles P-C4'-P energy: -34.901 tors. eta vs tors. theta energy: -40.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -480.253696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.253696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.253696 (E_RNA) where: Base-Base interactions energy: -274.187 where: short stacking energy: -144.298 Base-Backbone interact. energy: 1.317 local terms energy: -207.383412 where: bonds (distance) C4'-P energy: -47.771 bonds (distance) P-C4' energy: -62.691 flat angles C4'-P-C4' energy: -54.802 flat angles P-C4'-P energy: -24.440 tors. eta vs tors. theta energy: -17.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -463.097479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.097479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.097479 (E_RNA) where: Base-Base interactions energy: -264.191 where: short stacking energy: -130.621 Base-Backbone interact. energy: 0.276 local terms energy: -199.182140 where: bonds (distance) C4'-P energy: -53.836 bonds (distance) P-C4' energy: -61.181 flat angles C4'-P-C4' energy: -46.406 flat angles P-C4'-P energy: -16.861 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: 1, replica: 2 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -1182.811665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.811665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.811665 (E_RNA) where: Base-Base interactions energy: -808.962 where: short stacking energy: -357.727 Base-Backbone interact. energy: -1.710 local terms energy: -372.139916 where: bonds (distance) C4'-P energy: -69.522 bonds (distance) P-C4' energy: -64.993 flat angles C4'-P-C4' energy: -72.007 flat angles P-C4'-P energy: -50.968 tors. eta vs tors. theta energy: -114.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -1101.360158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.360158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.360158 (E_RNA) where: Base-Base interactions energy: -750.079 where: short stacking energy: -305.303 Base-Backbone interact. energy: -1.883 local terms energy: -349.397743 where: bonds (distance) C4'-P energy: -69.162 bonds (distance) P-C4' energy: -58.961 flat angles C4'-P-C4' energy: -73.482 flat angles P-C4'-P energy: -54.358 tors. eta vs tors. theta energy: -93.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -1054.298909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.298909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.298909 (E_RNA) where: Base-Base interactions energy: -723.953 where: short stacking energy: -319.590 Base-Backbone interact. energy: -0.862 local terms energy: -329.483721 where: bonds (distance) C4'-P energy: -60.096 bonds (distance) P-C4' energy: -57.609 flat angles C4'-P-C4' energy: -70.121 flat angles P-C4'-P energy: -42.965 tors. eta vs tors. theta energy: -98.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -968.637280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.637280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.637280 (E_RNA) where: Base-Base interactions energy: -665.375 where: short stacking energy: -272.430 Base-Backbone interact. energy: -1.822 local terms energy: -301.439933 where: bonds (distance) C4'-P energy: -58.700 bonds (distance) P-C4' energy: -65.415 flat angles C4'-P-C4' energy: -66.386 flat angles P-C4'-P energy: -46.069 tors. eta vs tors. theta energy: -64.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -986.023703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.023703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.023703 (E_RNA) where: Base-Base interactions energy: -667.960 where: short stacking energy: -285.584 Base-Backbone interact. energy: -0.590 local terms energy: -317.473960 where: bonds (distance) C4'-P energy: -60.473 bonds (distance) P-C4' energy: -56.347 flat angles C4'-P-C4' energy: -60.779 flat angles P-C4'-P energy: -49.976 tors. eta vs tors. theta energy: -89.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -906.765278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.765278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.765278 (E_RNA) where: Base-Base interactions energy: -619.302 where: short stacking energy: -275.549 Base-Backbone interact. energy: 0.028 local terms energy: -287.490711 where: bonds (distance) C4'-P energy: -51.226 bonds (distance) P-C4' energy: -51.538 flat angles C4'-P-C4' energy: -63.475 flat angles P-C4'-P energy: -46.410 tors. eta vs tors. theta energy: -74.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -763.945534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.945534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.945534 (E_RNA) where: Base-Base interactions energy: -504.888 where: short stacking energy: -216.322 Base-Backbone interact. energy: -0.355 local terms energy: -258.702284 where: bonds (distance) C4'-P energy: -44.988 bonds (distance) P-C4' energy: -70.454 flat angles C4'-P-C4' energy: -50.994 flat angles P-C4'-P energy: -33.744 tors. eta vs tors. theta energy: -58.522 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: 9 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -592.606000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.606000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.606000 (E_RNA) where: Base-Base interactions energy: -349.714 where: short stacking energy: -168.902 Base-Backbone interact. energy: 0.820 local terms energy: -243.711509 where: bonds (distance) C4'-P energy: -59.178 bonds (distance) P-C4' energy: -54.699 flat angles C4'-P-C4' energy: -56.264 flat angles P-C4'-P energy: -42.890 tors. eta vs tors. theta energy: -30.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -471.457357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.457357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.457357 (E_RNA) where: Base-Base interactions energy: -258.391 where: short stacking energy: -133.219 Base-Backbone interact. energy: 0.852 local terms energy: -213.918244 where: bonds (distance) C4'-P energy: -53.054 bonds (distance) P-C4' energy: -51.148 flat angles C4'-P-C4' energy: -41.790 flat angles P-C4'-P energy: -37.034 tors. eta vs tors. theta energy: -30.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -453.787511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.787511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.787511 (E_RNA) where: Base-Base interactions energy: -242.300 where: short stacking energy: -114.180 Base-Backbone interact. energy: -0.022 local terms energy: -211.465799 where: bonds (distance) C4'-P energy: -54.689 bonds (distance) P-C4' energy: -51.990 flat angles C4'-P-C4' energy: -57.104 flat angles P-C4'-P energy: -24.231 tors. eta vs tors. theta energy: -23.451 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: 2 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -1174.818608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.818608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.818608 (E_RNA) where: Base-Base interactions energy: -821.507 where: short stacking energy: -355.795 Base-Backbone interact. energy: -0.518 local terms energy: -352.793506 where: bonds (distance) C4'-P energy: -63.853 bonds (distance) P-C4' energy: -56.060 flat angles C4'-P-C4' energy: -72.642 flat angles P-C4'-P energy: -49.364 tors. eta vs tors. theta energy: -110.874 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: 8 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -1114.931144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.931144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.931144 (E_RNA) where: Base-Base interactions energy: -773.941 where: short stacking energy: -319.253 Base-Backbone interact. energy: -1.596 local terms energy: -339.393656 where: bonds (distance) C4'-P energy: -63.240 bonds (distance) P-C4' energy: -72.680 flat angles C4'-P-C4' energy: -69.654 flat angles P-C4'-P energy: -42.488 tors. eta vs tors. theta energy: -91.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -1045.562116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.562116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.562116 (E_RNA) where: Base-Base interactions energy: -719.560 where: short stacking energy: -322.299 Base-Backbone interact. energy: -1.060 local terms energy: -324.942870 where: bonds (distance) C4'-P energy: -53.890 bonds (distance) P-C4' energy: -61.906 flat angles C4'-P-C4' energy: -69.477 flat angles P-C4'-P energy: -40.907 tors. eta vs tors. theta energy: -98.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -992.269937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.269937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.269937 (E_RNA) where: Base-Base interactions energy: -658.200 where: short stacking energy: -293.060 Base-Backbone interact. energy: -1.219 local terms energy: -332.851195 where: bonds (distance) C4'-P energy: -62.579 bonds (distance) P-C4' energy: -61.740 flat angles C4'-P-C4' energy: -74.224 flat angles P-C4'-P energy: -43.503 tors. eta vs tors. theta energy: -90.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -894.240365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.240365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.240365 (E_RNA) where: Base-Base interactions energy: -605.180 where: short stacking energy: -276.300 Base-Backbone interact. energy: -0.956 local terms energy: -288.104820 where: bonds (distance) C4'-P energy: -58.415 bonds (distance) P-C4' energy: -56.835 flat angles C4'-P-C4' energy: -63.951 flat angles P-C4'-P energy: -39.081 tors. eta vs tors. theta energy: -69.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -893.402709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.402709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.402709 (E_RNA) where: Base-Base interactions energy: -608.043 where: short stacking energy: -254.800 Base-Backbone interact. energy: -0.253 local terms energy: -285.107373 where: bonds (distance) C4'-P energy: -54.384 bonds (distance) P-C4' energy: -61.524 flat angles C4'-P-C4' energy: -61.600 flat angles P-C4'-P energy: -41.910 tors. eta vs tors. theta energy: -65.689 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: 10 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -767.762137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.762137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.762137 (E_RNA) where: Base-Base interactions energy: -506.197 where: short stacking energy: -213.308 Base-Backbone interact. energy: 1.636 local terms energy: -263.201649 where: bonds (distance) C4'-P energy: -48.523 bonds (distance) P-C4' energy: -71.658 flat angles C4'-P-C4' energy: -59.077 flat angles P-C4'-P energy: -37.668 tors. eta vs tors. theta energy: -46.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -615.402961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.402961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.402961 (E_RNA) where: Base-Base interactions energy: -362.034 where: short stacking energy: -178.453 Base-Backbone interact. energy: 0.211 local terms energy: -253.580368 where: bonds (distance) C4'-P energy: -61.142 bonds (distance) P-C4' energy: -55.699 flat angles C4'-P-C4' energy: -61.781 flat angles P-C4'-P energy: -41.429 tors. eta vs tors. theta energy: -33.529 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: 6 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -451.546040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.546040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.546040 (E_RNA) where: Base-Base interactions energy: -241.540 where: short stacking energy: -125.386 Base-Backbone interact. energy: -1.083 local terms energy: -208.922714 where: bonds (distance) C4'-P energy: -46.692 bonds (distance) P-C4' energy: -56.507 flat angles C4'-P-C4' energy: -49.847 flat angles P-C4'-P energy: -37.318 tors. eta vs tors. theta energy: -18.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -455.176989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.176989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.176989 (E_RNA) where: Base-Base interactions energy: -244.763 where: short stacking energy: -121.047 Base-Backbone interact. energy: -0.835 local terms energy: -209.578308 where: bonds (distance) C4'-P energy: -60.334 bonds (distance) P-C4' energy: -65.291 flat angles C4'-P-C4' energy: -52.992 flat angles P-C4'-P energy: -24.483 tors. eta vs tors. theta energy: -6.478 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)